ATOM 28
1 C8x C 19.1897 -16.6776
2 C8y C 19.1897 -18.0773
3 C8x C 20.4058 -18.7737
4 C8x C 20.4058 -15.9742
5 C8y C 21.6146 -16.6776
6 C8y C 21.6087 -18.0773
7 O7x O 22.8188 -18.7787
8 C8y C 24.0349 -18.0876
9 C8y C 24.0408 -16.6879
10 C8y C 22.8306 -15.9795
11 C1b C 25.2568 -15.9898
12 C2b C 26.4668 -16.6982
13 C2c C 27.6829 -16.0001
14 C1b C 28.8859 -16.7085
15 C1b C 30.1020 -16.0104
16 C2b C 31.3121 -16.7188
17 C2c C 32.5282 -16.0207
18 C1b C 33.7383 -16.7291
19 C1b C 34.9544 -16.0310
20 C2b C 36.1644 -16.7394
21 C2c C 37.3804 -16.0412
22 C1a C 38.5835 -16.7497
23 C1a C 37.3863 -14.6417
24 C1a C 27.6890 -14.6003
25 C1a C 32.5341 -14.6209
26 O1a O 17.9840 -18.7742
27 O1a O 22.8366 -14.5798
28 O6a O 25.2449 -18.7890
BOND 29
1 3 6 1
2 13 14 1
3 5 4 1
4 14 15 1
5 4 1 2
6 15 16 1
7 5 6 2
8 16 17 2
9 6 7 1
10 17 18 1
11 7 8 1
12 18 19 1
13 8 9 1
14 19 20 1
15 9 10 2
16 20 21 2
17 10 5 1
18 21 22 1
19 21 23 1
20 9 11 1
21 13 24 1
22 1 2 1
23 17 25 1
24 11 12 1
25 2 26 1
26 2 3 2
27 10 27 1
28 12 13 2
29 8 28 2
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