ATOM 37
1 C1x C 20.7856 -22.9497
2 C1y C 20.7856 -24.3118
3 C1x C 21.9651 -24.9929
4 C1y C 23.1448 -24.3118
5 C1z C 23.1448 -22.9497
6 C1x C 21.9651 -22.2687
7 C1x C 24.3244 -24.9929
8 C1y C 25.5039 -24.3118
9 C1y C 25.5039 -22.9497
10 C1y C 24.3244 -22.2687
11 C1y C 26.6836 -22.2687
12 C1z C 26.6836 -20.9066
13 C1y C 25.5039 -20.2256
14 C1x C 24.3244 -20.9066
15 C1x C 29.0428 -22.2687
16 C1x C 29.0428 -20.9066
17 C1y C 27.8632 -20.2256
18 O1a O 19.6060 -24.9929
19 O1a O 26.6691 -24.9846
20 O1a O 24.8229 -18.7955
21 C1a C 23.1448 -21.5877
22 C1c C 27.8632 -18.8635
23 C1a C 26.5513 -17.5718
24 C1b C 29.0467 -18.1801
25 C1b C 30.2118 -18.8530
26 C1c C 31.3660 -18.1866
27 C1c C 32.5255 -18.8563
28 C1b C 33.6825 -18.1883
29 O1a O 31.3662 -16.8206
30 C1a C 26.6836 -19.5445
31 C1b C 32.5255 -20.2253
32 O1a O 33.6856 -20.8953
33 O2a O 34.8406 -18.8571
34 S4a S 36.2406 -18.8571
35 O1d O 37.6406 -18.8571
36 O1d O 36.2406 -20.2571
37 O1d O 36.2406 -17.4571
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 1 #Down
22 8 19 1 #Down
23 13 20 1 #Down
24 5 21 1 #Up
25 17 22 1
26 22 23 1 #Down
27 22 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 26 29 1 #Up
33 12 30 1 #Up
34 27 31 1
35 31 32 1
36 28 33 1
37 33 34 1
38 34 35 2
39 34 36 2
40 34 37 1
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