ATOM 29
1 O2x O 36.9206 -23.1298
2 C1y C 36.9206 -24.5270
3 C1y C 38.1336 -25.2255
4 C1y C 39.3394 -24.5270
5 C1y C 39.3394 -23.1298
6 C1y C 38.1336 -22.4312
7 O1a O 40.5499 -22.4322
8 C1b C 35.7110 -25.2262
9 O1a O 35.7117 -26.6235
10 O1a O 38.1354 -26.6228
11 O1a O 40.4802 -25.5041
12 O2a O 38.1354 -21.0340
13 C8x C 32.0958 -18.9229
14 C8x C 32.0958 -20.3200
15 C8x C 33.3085 -21.0186
16 C8x C 33.3085 -18.2242
17 C8y C 34.5145 -18.9229
18 C8y C 34.5084 -20.3200
19 C8y C 35.7153 -21.0237
20 C8y C 36.9284 -20.3304
21 C8y C 36.9343 -18.9332
22 O2x O 35.7273 -18.2295
23 C8y C 38.1472 -18.2399
24 C8x C 39.3506 -18.9467
25 C8x C 40.5636 -18.2534
26 C8x C 40.5696 -16.8562
27 C8x C 39.3626 -16.1526
28 C8x C 38.1496 -16.8458
29 O5x O 35.7093 -22.4209
BOND 32
1 5 6 1
2 6 1 1
3 13 14 2
4 14 15 1
5 15 18 2
6 17 16 2
7 16 13 1
8 2 8 1 #Up
9 5 7 1 #Down
10 17 18 1
11 18 19 1
12 19 20 1
13 20 21 2
14 21 22 1
15 22 17 1
16 8 9 1
17 21 23 1
18 1 2 1
19 3 10 1
20 4 11 1 #Up
21 2 3 1
22 23 24 2
23 24 25 1
24 25 26 2
25 26 27 1
26 27 28 2
27 28 23 1
28 6 12 1 #Up
29 20 12 1
30 3 4 1
31 19 29 2
32 4 5 1
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