#rdkit	symbol	shift	mult	coup
82	H	0.98	m	NA
83	H	1.72	m	NA
80	H	2.14	m	NA
81	H	1.75	m	NA
68	H	3.98	m	NA
66	H	2.72	ddd	1.98,4.69,12.94
67	H	2.49	ddd	1.98,12.94,12.94
65	H	5.35	t	2.5
63	H	1.6	ddd	2.5,7.0,16.0
64	H	1.95	ddd	16.0,2.5,7.0
62	H	1.36	m	NA
87	H	0.85	m	NA
88	H	1.42	m	NA
89	H	1.42	m	NA
90	H	1.98	dd	4.3,12.37
91	H	1.1	m	NA
61	H	0.95	m	NA
59	H	1.05	m	NA
60	H	1.57	m	NA
57	H	1.25	m	NA
58	H	1.85	m	NA
56	H	1.1	m	NA
92	H	0.66	s	NA
93	H	0.66	s	NA
94	H	0.66	s	NA
84	H	0.94	s	NA
85	H	0.94	s	NA
86	H	0.94	s	NA
52	H	1.4	m	NA
53	H	0.98	d	6.5
54	H	0.98	d	6.5
55	H	0.98	d	6.5
50	H	1.4	m	NA
51	H	1.1	m	NA
48	H	1.25	m	NA
49	H	1.25	m	NA
47	H	1.0	m	NA
95	H	1.68	m	NA
99	H	0.84	d	7.0
100	H	0.84	d	7.0
101	H	0.84	d	7.0
96	H	0.86	d	7.0
97	H	0.86	d	7.0
98	H	0.86	d	7.0
45	H	1.3	m	NA
46	H	1.3	m	NA
42	H	0.88	t	7.5
43	H	0.88	t	7.5
44	H	0.88	t	7.5
69	H	5.04	d	7.69
78	H	4.04	dd	7.69,7.5
76	H	4.27	t	7.5
74	H	4.27	t	7.5
70	H	3.96	m	NA
71	H	4.55	dd	2.5,11.77
72	H	4.4	dd	5.2,11.77
