atomic_number	formal_charge	pi_Bonds	sigma_Bonds	possible_hydrogens
1	1	0	0	0
1	-1	0	0	0
1	0	0	0	0
1	0	0	1	1
2	0	0	0	0
3	1	0	0	0
3	-1	0	0	0
3	0	0	0	0
3	0	0	1	1
4	2	0	0	0
4	0	0	0	0
4	1	0	1	1
4	0	0	2	2
4	0	1	1	2
4	-2	0	4	0
5	0	0	0	0
5	0	0	2	2
5	-1	1	1	0
5	0	0	3	3
5	0	1	2	1
5	0	2	1	0
5	1	0	4	4
5	-1	0	4	4
5	-1	1	3	0
5	1	2	2	0
5	-1	2	2	0
6	0	0	0	0
6	1	0	3	3
6	1	1	2	1
6	1	2	1	0
6	-1	0	3	3
6	-1	1	2	1
6	-1	2	1	0
6	0	0	4	4
6	0	1	3	2
6	0	2	2	1
6	0	2	2	0
7	0	0	0	0
7	-1	0	2	2
7	-1	1	1	0
7	0	0	3	3
7	0	1	2	1
7	0	2	1	0
7	1	0	4	4
7	1	1	3	2
7	1	2	2	1
7	1	2	2	0
8	0	0	0	0
8	-2	0	0	0
8	-1	0	1	1
8	0	0	2	2
8	0	1	1	0
8	1	0	3	3
8	1	1	2	1
8	1	2	1	0
9	-1	0	0	0
9	0	0	0	0
9	0	0	1	1
9	-1	0	1	0
10	0	0	0	0
11	1	0	0	0
11	0	0	0	0
11	0	0	1	1
12	2	0	0	0
12	0	0	0	0
12	1	0	1	1
12	0	0	2	2
12	0	1	1	0
13	3	0	0	0
13	0	0	0	0
13	2	0	1	1
13	1	0	2	2
13	0	0	3	3
13	0	1	2	1
13	0	2	1	0
13	-1	0	4	4
13	-1	2	2	0
13	-2	0	5	0
13	-3	0	6	0
14	4	0	0	0
14	0	0	0	0
14	-2	1	1	0
14	1	2	1	0
14	-1	2	1	0
14	3	0	1	1
14	2	0	2	2
14	2	1	1	0
14	1	0	3	0
14	1	1	2	1
14	-1	0	3	3
14	-1	1	2	1
14	0	0	4	4
14	0	1	3	2
14	0	2	2	0
14	1	3	2	0
14	-1	0	5	0
14	-2	0	6	0
15	-3	0	0	0
15	0	0	0	0
15	-2	0	1	1
15	-1	0	2	0
15	-1	1	1	0
15	0	0	3	3
15	0	1	2	1
15	0	2	1	0
15	1	0	4	0
15	1	1	3	0
15	1	2	2	0
15	1	2	3	0
15	0	0	5	0
15	0	1	4	3
15	0	2	3	0
15	0	3	2	0
15	-1	0	6	0
15	-1	2	2	0
16	-2	0	0	0
16	0	0	0	0
16	-1	0	1	1
16	0	0	2	2
16	0	1	1	0
16	1	0	3	3
16	1	2	1	3
16	1	1	2	1
16	0	0	4	0
16	0	1	3	0
16	0	2	2	0
16	1	1	4	0
16	-1	2	3	0
16	0	0	6	0
16	0	1	5	0
16	0	2	4	0
16	0	3	3	0
16	-1	3	4	0
17	-1	0	0	0
17	0	0	0	0
17	0	0	1	1
17	1	0	2	0
17	-1	0	2	0
17	0	0	3	0
17	0	1	2	0
17	2	0	3	0
17	3	0	4	0
17	0	0	5	0
17	0	1	4	0
17	0	2	3	0
17	0	0	7	0
17	0	3	4	0
18	0	0	0	0
19	1	0	0	0
19	0	0	0	0
19	0	0	1	1
20	2	0	0	0
20	0	0	0	0
20	1	0	1	1
20	0	0	2	2
20	0	1	1	0
21	0	0	0	0
21	3	0	0	0
21	0	0	3	0
21	0	1	2	0
21	0	2	1	0
22	0	0	0	0
22	2	0	0	0
22	3	0	0	0
22	4	0	0	0
22	1	0	1	0
22	3	0	1	0
22	0	0	2	0
22	4	0	2	0
22	0	1	1	0
22	1	1	1	0
22	2	1	1	0
22	0	0	3	0
22	0	1	2	0
22	0	2	1	0
22	1	0	3	0
22	1	2	1	0
22	0	0	4	0
22	0	1	3	0
22	0	2	2	0
22	-1	0	5	0
22	-2	0	6	0
23	0	0	0	0
23	2	0	0	0
23	4	0	0	0
23	0	0	2	0
23	0	1	1	0
23	2	1	1	0
23	0	0	3	0
23	0	1	2	0
23	0	2	1	0
23	1	2	1	0
23	0	0	4	0
23	0	1	3	0
23	0	2	2	0
23	0	0	5	0
23	0	1	4	0
23	0	2	3	0
24	0	0	0	0
24	2	0	0	0
24	3	0	0	0
24	4	0	0	0
24	5	0	0	0
24	6	0	0	0
24	2	0	1	0
24	0	0	2	0
24	0	1	1	0
24	1	0	2	0
24	0	0	3	0
24	0	1	2	0
24	0	2	1	0
24	1	0	3	0
24	0	0	4	0
24	-1	0	4	0
24	0	0	5	0
24	-2	0	5	0
24	0	0	6	0
24	0	1	5	0
24	0	2	4	0
24	0	3	3	0
24	0	4	2	0
24	-3	0	6	0
25	0	0	0	0
25	2	0	0	0
25	3	0	0	0
25	1	0	1	0
25	0	0	2	0
25	0	1	1	0
25	-1	1	1	0
25	0	0	3	0
25	0	1	2	0
25	0	2	1	0
25	0	0	4	0
25	0	1	3	0
25	0	2	2	0
25	-2	0	4	0
25	0	0	6	0
25	0	2	4	0
25	0	4	2	0
25	-3	0	6	0
25	0	0	7	0
25	0	2	5	0
25	0	3	4	0
26	0	0	0	0
26	2	0	0	0
26	3	0	0	0
26	4	0	0	0
26	5	0	0	0
26	6	0	0	0
26	0	0	2	0
26	0	1	1	0
26	1	0	2	0
26	1	1	1	0
26	-1	0	2	0
26	0	0	3	0
26	0	1	2	0
26	0	2	1	0
26	1	2	1	0
26	-1	0	3	0
26	0	0	4	0
26	0	2	2	0
26	-1	0	4	0
26	-1	3	2	0
26	-2	0	5	0
26	-3	0	5	0
26	0	0	6	0
26	0	4	2	0
26	-2	0	6	0
26	-3	0	6	0
26	-4	0	6	0
27	0	0	0	0
27	2	0	0	0
27	3	0	0	0
27	1	0	1	0
27	2	0	1	0
27	0	0	2	0
27	0	1	1	0
27	1	0	2	0
27	0	0	3	0
27	0	1	2	0
27	0	2	1	0
27	-1	0	3	0
27	-2	0	4	0
27	-3	0	6	0
28	0	0	0	0
28	2	0	0	0
28	3	0	0	0
28	0	0	1	0
28	0	0	2	0
28	0	1	1	0
28	1	0	2	0
28	2	0	2	0
28	-1	0	2	0
28	0	0	3	0
28	0	1	2	0
28	0	2	1	0
28	-1	0	3	0
28	-1	0	4	0
28	-2	0	4	0
28	-3	0	6	0
29	0	0	0	0
29	1	0	0	0
29	2	0	0	0
29	0	0	1	0
29	1	0	1	0
29	0	0	2	0
29	-1	0	2	0
29	0	1	1	0
29	-1	0	3	0
29	-2	0	4	0
30	0	0	0	0
30	2	0	0	0
30	1	0	1	0
30	0	0	2	0
30	0	1	1	0
30	-1	0	3	0
30	-2	0	4	0
31	0	0	0	0
31	3	0	0	0
31	0	0	2	2
31	0	1	1	0
31	0	0	3	3
31	0	1	2	0
31	0	2	1	0
31	-1	0	4	0
32	0	0	0	0
32	0	0	2	2
32	0	1	1	2
32	0	0	4	4
32	0	1	3	0
32	0	2	2	0
32	-1	0	5	0
32	4	0	6	0
32	-2	0	6	0
33	0	0	0	0
33	2	0	0	0
33	3	0	0	0
33	5	0	0	0
33	0	0	3	3
33	0	1	2	0
33	0	2	1	0
33	1	0	4	0
33	-1	0	4	0
33	1	2	2	0
33	0	0	5	0
33	0	1	4	0
33	0	2	3	0
33	-1	0	6	0
33	-1	2	4	0
34	0	0	0	0
34	-2	0	0	0
34	4	0	0	0
34	6	0	0	0
34	-1	0	1	0
34	0	0	2	2
34	0	1	1	0
34	1	0	3	0
34	1	1	2	0
34	0	0	4	0
34	0	1	3	0
34	0	2	2	0
34	0	0	6	0
34	0	2	4	0
34	0	3	3	0
35	0	0	0	0
35	-1	0	0	0
35	0	0	1	1
35	-1	0	2	0
35	0	0	3	0
35	0	1	2	0
35	0	0	5	0
35	0	1	4	0
35	0	2	3	0
35	0	0	7	0
35	0	1	6	0
35	0	2	5	0
35	0	3	4	0
36	0	0	0	0
36	0	0	2	0
37	0	0	0	0
37	1	0	0	0
37	0	0	1	0
37	0	0	2	0
37	0	0	3	0
37	0	0	4	0
38	0	0	0	0
38	2	0	0	0
38	0	0	2	0
38	0	1	1	0
39	0	0	0	0
39	3	0	0	0
39	0	0	3	0
39	0	1	2	0
39	0	2	1	0
40	0	0	0	0
40	2	0	0	0
40	3	0	0	0
40	4	0	0	0
40	0	0	2	0
40	0	1	1	0
40	2	0	2	0
40	2	1	1	0
40	0	0	3	0
40	0	2	1	0
40	1	2	1	0
40	0	0	4	0
40	0	1	3	0
40	0	2	2	0
40	-1	0	5	0
40	-2	0	6	0
40	-3	0	7	0
40	-4	0	8	0
41	0	0	0	0
41	2	0	0	0
41	3	0	0	0
41	5	0	0	0
41	-1	0	0	0
41	0	0	2	0
41	0	1	1	0
41	0	0	3	0
41	0	1	2	0
41	0	2	1	0
41	0	0	4	0
41	0	1	3	0
41	0	2	2	0
41	0	0	5	0
41	0	1	4	0
41	0	2	3	0
41	-1	0	6	0
41	-2	0	7	0
42	0	0	0	0
42	2	0	0	0
42	3	0	0	0
42	4	0	0	0
42	0	0	2	0
42	0	1	1	0
42	4	1	1	0
42	0	0	3	0
42	0	1	2	0
42	0	2	1	0
42	1	2	1	0
42	0	0	4	0
42	0	1	3	0
42	0	2	2	0
42	2	2	2	0
42	0	0	5	0
42	0	1	4	0
42	0	0	6	0
42	0	1	5	0
42	0	2	4	0
42	0	3	3	0
42	0	4	2	0
42	-2	0	6	0
43	0	0	0	0
43	4	0	0	0
43	5	0	0	0
43	6	0	0	0
43	7	0	0	0
43	0	0	2	0
43	0	1	1	0
43	2	1	1	0
43	3	1	1	0
43	4	1	1	0
43	5	1	1	0
43	0	0	4	0
43	0	2	2	0
43	1	2	2	0
43	2	2	2	0
43	3	2	2	0
43	0	0	5	0
43	0	0	6	0
43	0	0	7	0
43	0	3	4	0
44	0	0	0	0
44	1	0	0	0
44	2	0	0	0
44	3	0	0	0
44	4	0	0	0
44	5	0	0	0
44	6	0	0	0
44	8	0	0	0
44	0	0	1	0
44	1	0	1	0
44	2	0	1	0
44	3	0	1	0
44	0	0	2	0
44	1	1	1	0
44	2	0	2	0
44	-1	0	2	0
44	0	0	3	0
44	0	1	2	0
44	-1	0	3	0
44	0	0	4	0
44	0	1	3	0
44	0	2	2	0
44	-1	0	4	0
44	-2	0	4	0
44	0	0	5	0
44	-2	0	5	0
44	0	0	6	0
44	0	2	4	0
44	4	0	6	0
44	-1	0	6	0
44	-2	0	6	0
44	-3	0	6	0
44	-4	0	6	0
44	-1	2	5	0
44	0	0	8	0
44	0	4	4	0
45	0	0	0	0
45	2	0	0	0
45	3	0	0	0
45	2	0	1	0
45	0	0	2	0
45	0	1	1	0
45	1	0	2	0
45	-1	0	2	0
45	0	0	3	0
45	0	1	2	0
45	0	0	4	0
45	0	2	2	0
45	0	0	5	0
45	-2	0	5	0
45	0	0	6	0
45	-3	0	6	0
46	0	0	0	0
46	2	0	0	0
46	1	0	1	0
46	0	0	2	0
46	0	1	1	0
46	-1	0	2	0
46	0	0	3	0
46	-1	0	3	0
46	-1	2	1	0
46	0	0	4	0
46	0	2	2	0
46	1	0	4	0
46	-2	0	4	0
46	-2	0	6	0
47	0	0	0	0
47	1	0	0	0
47	0	0	1	0
47	0	0	2	0
47	0	1	1	0
47	-1	0	2	0
48	0	0	0	0
48	2	0	0	0
48	0	0	2	0
48	0	1	1	0
48	-1	0	3	0
48	-2	0	4	0
49	0	0	0	0
49	1	0	0	0
49	2	0	0	0
49	3	0	0	0
49	0	0	1	0
49	0	0	2	0
49	0	1	1	0
49	0	0	3	0
49	0	1	2	0
49	0	2	1	0
49	-1	0	4	0
50	0	0	0	0
50	2	0	0	0
50	4	0	0	0
50	1	0	1	0
50	3	0	1	0
50	0	0	2	0
50	2	0	2	0
50	0	1	1	0
50	1	0	3	0
50	-1	0	3	0
50	0	0	4	0
50	0	2	2	0
50	0	1	3	0
50	-1	0	5	0
51	0	0	0	0
51	3	0	0	0
51	1	1	1	0
51	0	0	3	0
51	0	1	2	0
51	0	2	1	0
51	-1	0	3	0
51	1	0	4	0
51	-1	0	4	0
51	0	0	5	0
51	0	1	4	0
51	0	2	3	0
51	-1	0	6	0
52	0	0	0	0
52	4	0	0	0
52	0	0	2	0
52	0	1	1	0
52	1	0	3	0
52	1	2	1	0
52	0	0	4	0
52	0	1	3	0
52	0	2	2	0
52	0	0	6	0
52	0	2	4	0
52	0	3	3	0
52	-1	1	6	0
53	-1	0	0	0
53	0	0	0	0
53	0	0	1	1
53	1	0	2	0
53	-1	0	2	0
53	0	0	3	0
53	0	1	2	0
53	-1	0	4	0
53	0	0	5	0
53	0	1	4	0
53	0	2	3	0
53	1	0	6	0
53	0	0	7	0
53	0	1	6	0
53	0	2	5	0
53	0	3	4	0
54	0	0	0	0
54	0	0	2	0
54	0	0	4	0
54	0	0	6	0
54	0	2	4	0
55	0	0	0	0
55	1	0	0	0
55	0	0	1	0
56	0	0	0	0
56	2	0	0	0
56	1	0	1	0
56	0	0	2	0
56	0	1	1	0
57	0	0	0	0
57	3	0	0	0
57	0	0	3	0
57	0	1	2	0
57	0	2	1	0
58	0	0	0	0
58	3	0	0	0
58	4	0	0	0
58	0	0	3	0
58	0	1	2	0
58	0	2	1	0
58	0	0	4	0
58	0	2	2	0
59	0	0	0	0
59	3	0	0	0
59	1	1	1	0
59	0	0	3	0
59	0	1	2	0
59	0	2	1	0
59	0	0	4	0
59	0	2	2	0
60	0	0	0	0
60	3	0	0	0
60	0	0	3	0
60	0	1	2	0
60	0	2	1	0
61	0	0	0	0
61	0	0	3	0
62	0	0	0	0
62	3	0	0	0
62	0	0	2	0
62	0	0	3	0
62	0	1	2	0
62	0	2	1	0
63	0	0	0	0
63	2	0	0	0
63	3	0	0	0
63	0	0	2	0
63	0	1	1	0
63	0	0	3	0
63	0	1	2	0
63	0	2	1	0
64	0	0	0	0
64	2	0	0	0
64	0	0	2	0
64	3	0	0	0
64	0	0	3	0
64	0	1	2	0
64	0	2	1	0
65	0	0	0	0
65	3	0	0	0
65	4	0	0	0
65	0	0	3	0
65	0	1	2	0
65	0	2	1	0
65	0	0	4	0
65	0	1	3	0
66	0	0	0	0
66	3	0	0	0
66	0	0	3	0
66	0	1	2	0
66	0	2	1	0
67	0	0	0	0
67	3	0	0	0
67	0	0	3	0
67	0	1	2	0
67	0	2	1	0
68	0	0	0	0
68	3	0	0	0
68	0	0	3	0
68	0	1	2	0
68	0	2	1	0
69	0	0	0	0
69	3	0	0	0
69	0	0	2	0
69	0	1	1	0
69	0	0	3	0
69	0	1	2	0
69	0	2	1	0
70	0	0	0	0
70	2	0	0	0
70	3	0	0	0
70	0	0	2	0
70	0	1	1	0
70	0	0	3	0
70	0	1	2	0
70	0	2	1	0
71	0	0	0	0
71	3	0	0	0
71	0	0	3	0
71	0	1	2	0
71	0	2	1	0
72	0	0	0	0
72	4	0	0	0
72	2	1	1	0
72	1	2	1	0
72	0	0	4	0
72	0	1	3	0
72	0	2	2	0
73	0	0	0	0
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