ATOM 29
1 C8y C 28.6190 -19.2257
2 C8y C 28.6190 -20.6289
3 C8y C 29.8310 -21.3341
4 C8x C 29.8310 -18.5276
5 C8y C 31.0429 -19.2257
6 C8y C 31.0370 -20.6289
7 C8y C 32.2503 -21.3391
8 C8x C 33.4694 -20.6392
9 C8y C 33.4755 -19.2360
10 O2x O 32.2623 -18.5327
11 C8y C 34.6832 -18.5276
12 C8x C 35.9042 -19.2134
13 C8x C 37.1121 -18.5048
14 C8x C 37.0990 -17.1037
15 C8x C 35.8780 -16.4108
16 C8x C 34.6702 -17.1263
17 O5x O 32.2364 -22.7374
18 O1a O 29.8178 -22.7374
19 O1a O 27.4030 -18.5269
20 C1b C 27.4086 -21.3251
21 C2b C 26.2006 -20.6250
22 C2c C 24.9904 -21.3210
23 C1b C 23.7824 -20.6209
24 C1a C 24.9880 -22.7172
25 C1b C 22.5720 -21.3170
26 C2b C 21.3640 -20.6168
27 C2c C 20.1538 -21.3129
28 C1a C 18.9458 -20.6129
29 C1a C 20.1514 -22.7091
BOND 31
1 15 16 2
2 16 11 1
3 5 6 2
4 7 17 2
5 6 7 1
6 3 18 1
7 7 8 1
8 8 9 2
9 9 10 1
10 10 5 1
11 1 19 1
12 9 11 1
13 2 20 1
14 1 2 1
15 20 21 1
16 2 3 2
17 21 22 2
18 3 6 1
19 22 23 1
20 5 4 1
21 22 24 1
22 4 1 2
23 23 25 1
24 11 12 2
25 25 26 1
26 12 13 1
27 26 27 2
28 13 14 2
29 27 28 1
30 14 15 1
31 27 29 1
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