ATOM 21
1 C1y C 25.3602 -16.2477
2 C8y C 26.5722 -16.9468
3 C1x C 24.1425 -16.9411
4 C1x C 25.3661 -14.8436
5 C8y C 26.6305 -18.3511
6 C8x C 27.7840 -16.2536
7 C8y C 22.9307 -16.2360
8 O2x O 24.1541 -14.1385
9 C8x C 27.7724 -19.0560
10 O2a O 25.3428 -19.0444
11 C8x C 28.9958 -16.9585
12 C8y C 22.9364 -14.8376
13 C8x C 21.7303 -16.9352
14 C8y C 28.9901 -18.3569
15 C8x C 21.7303 -14.1327
16 C8x C 20.5185 -16.2360
17 O2a O 30.1903 -19.0677
18 C8y C 20.5185 -14.8376
19 C1a C 31.4080 -18.3685
20 O1a O 19.3067 -14.1327
21 C1a C 25.3293 -20.4383
BOND 23
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1
10 6 11 2
11 7 12 2
12 7 13 1
13 9 14 2
14 12 15 1
15 13 16 2
16 14 17 1
17 15 18 2
18 17 19 1
19 18 20 1
20 8 12 1
21 11 14 1
22 16 18 1
23 10 21 1
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