ATOM 23
1 C8x C 22.5252 -16.2276
2 C8x C 22.5252 -17.6264
3 C8x C 23.7366 -18.3259
4 C8y C 24.9481 -17.6264
5 C8y C 24.9481 -16.2276
6 C8y C 23.7366 -15.5282
7 C1x C 26.1594 -18.3259
8 C2y C 27.3708 -17.6264
9 C2y C 27.3708 -16.2276
10 C5x C 26.1594 -15.5282
11 C1x C 28.5823 -18.3259
12 C1y C 29.7937 -17.6264
13 O2x O 29.7937 -16.2276
14 C1z C 28.5823 -15.5282
15 O1a O 23.7366 -14.1296
16 O5x O 26.1594 -14.1294
17 C1a C 28.5823 -14.1297
18 C1b C 31.0105 -18.3259
19 C5a C 32.2220 -17.6264
20 S2a S 33.4334 -18.3259
21 O5a O 32.2220 -16.2278
22 O1a O 29.8144 -14.8166
23 R R 34.8334 -18.3259
BOND 25
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 6 15 1
18 10 16 2
19 14 17 1
20 12 18 1 #Up
21 18 19 1
22 19 20 1
23 19 21 2
24 14 22 1
25 20 23 1
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