ATOM 16
1 C8y C 27.3355 -18.8251
2 C8y C 27.3997 -20.2233
3 C5x C 28.6232 -18.1316
4 C8y C 26.1937 -18.1259
5 C5x C 28.6116 -20.9341
6 C8y C 26.1937 -20.9284
7 C2y C 29.8352 -18.8308
8 O5x O 28.6291 -16.7275
9 C8x C 24.9817 -18.8251
10 C1a C 26.1937 -16.7275
11 C2y C 29.8293 -20.2349
12 O5x O 28.6058 -22.3325
13 C8x C 24.9817 -20.2233
14 O1a O 26.1994 -22.3267
15 O1a O 31.0470 -18.1433
16 C1a C 31.0354 -20.9458
BOND 17
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 6 14 1
14 7 15 1
15 11 16 1
16 7 11 2
17 9 13 1
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