ATOM 28
1 C1y C 22.2251 -16.6098
2 O2x O 21.0712 -17.2777
3 C1y C 23.3789 -17.2834
4 S2a S 22.2075 -15.1631
5 C1y C 21.0712 -18.6014
6 C1y C 23.3730 -18.6073
7 O1a O 24.5271 -16.6215
8 C2c C 22.2191 -13.8335
9 C1y C 22.2191 -19.2750
10 C1b C 19.9114 -19.2926
11 O1a O 24.5212 -19.2867
12 N2b N 23.3672 -13.1540
13 C1b C 20.9540 -13.1071
14 O1a O 22.2075 -20.6104
15 O1a O 18.7517 -18.6424
16 O2a O 24.5154 -12.4804
17 C8y C 19.6888 -13.8276
18 S4a S 25.7688 -13.4234
19 O1d O 26.8466 -12.1993
20 O1d O 24.6617 -14.5773
21 O1d O 27.0691 -14.2376
22 C8x C 18.4728 -13.1255
23 C8x C 17.2567 -13.8276
24 C8y C 17.2567 -15.2318
25 C8x C 18.4728 -15.9339
26 C8x C 19.6888 -15.2318
27 O2a O 16.0104 -15.9515
28 C1a C 14.8060 -15.2562
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 2
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 13 17 1
17 16 18 1
18 18 19 2
19 18 20 2
20 18 21 1
21 6 9 1
22 17 22 2
23 22 23 1
24 23 24 2
25 24 25 1
26 25 26 2
27 17 26 1
28 24 27 1
29 27 28 1
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