ATOM 36
1 C1y C 31.7903 -18.9991
2 C1y C 30.6028 -19.6278
3 C1z C 31.7903 -17.6020
4 C1x C 34.1655 -18.9991
5 C1y C 29.4152 -18.9293
6 C1x C 30.6028 -21.0249
7 C1x C 30.6028 -16.9035
8 C1y C 32.9778 -16.9733
9 C1a C 31.7903 -16.2748
10 C1x C 34.1654 -17.6719
11 C8y C 28.2277 -19.6278
12 C1x C 29.4152 -17.6020
13 C1x C 29.4152 -21.6536
14 O2a O 32.9778 -15.5762
15 C8y C 28.2277 -21.0249
16 C8x C 27.0401 -18.9293
17 C8x C 27.0401 -21.6536
18 C8x C 25.8526 -19.6278
19 C8y C 25.8526 -21.0249
20 O2a O 24.6651 -21.6536
21 C1y C 20.9628 -22.3522
22 O2x O 22.2201 -21.6536
23 C1y C 20.9628 -23.7493
24 C6a C 19.9149 -21.4441
25 C1y C 23.4077 -22.3522
26 C1y C 22.2201 -24.4478
27 O1a O 19.7752 -24.4478
28 O6a O 20.1943 -20.1168
29 O6a O 18.5877 -21.9330
30 C1y C 23.4077 -23.7493
31 O1a O 22.2201 -25.8449
32 O1a O 24.6651 -24.4478
33 S4a S 32.9778 -14.1791
34 O1d O 32.9778 -12.7820
35 O1d O 31.5807 -14.1791
36 O1d O 34.3749 -14.1791
BOND 40
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1 #Up
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 7 12 1
21 8 10 1
22 13 15 1
23 18 19 1
24 21 22 1
25 21 23 1
26 21 24 1 #Up
27 22 25 1
28 23 26 1
29 23 27 1 #Down
30 24 28 1
31 24 29 2
32 25 30 1
33 25 20 1 #Up
34 26 31 1 #Up
35 30 32 1 #Down
36 26 30 1
37 14 33 1
38 33 34 1
39 33 35 2
40 33 36 2
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