ATOM 27
1 C1y C 23.0578 -18.0032
2 C1b C 24.2507 -18.7189
3 C1y C 23.0578 -16.6194
4 C1y C 21.6741 -16.1900
5 C1x C 20.8629 -17.3352
6 C1y C 21.6741 -18.4803
7 O1a O 21.2145 -14.8342
8 O1a O 21.2357 -19.8430
9 C2b C 24.2862 -15.9149
10 C2b C 25.5165 -16.6248
11 C1c C 26.7470 -15.9149
12 C1b C 27.9773 -16.6248
13 O1a O 26.7470 -14.4953
14 C1b C 29.2076 -15.9149
15 C6a C 30.4380 -16.6248
16 O6a O 31.6672 -15.9145
17 O6a O 30.4385 -17.6659
18 C2b C 25.4692 -17.9971
19 C2b C 26.8889 -17.9971
20 C1b C 28.1171 -18.7053
21 C2b C 29.3132 -17.9946
22 C2b C 30.7137 -17.9946
23 C1b C 31.9274 -18.6949
24 C2b C 33.1412 -17.9946
25 C2b C 34.5416 -17.9946
26 C1b C 35.7497 -18.6917
27 C1a C 36.9631 -17.9916
BOND 27
1 1 2 1
2 1 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 6 8 1
9 3 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 11 13 1
14 12 14 1
15 14 15 1
16 15 16 1
17 15 17 2
18 2 18 1
19 18 19 2
20 19 20 1
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 1
25 24 25 2
26 25 26 1
27 26 27 1
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