ATOM 28
1 C1c C 28.7943 -15.9687
2 C8y C 23.9114 -15.9668
3 C8y C 23.9114 -17.3767
4 C8y C 25.1372 -18.0745
5 C8x C 26.3557 -17.3767
6 C8y C 26.3557 -15.9668
7 C8x C 25.1372 -15.2551
8 C1c C 27.5790 -15.2560
9 C1z C 30.0105 -15.2578
10 C1x C 31.2290 -15.9707
11 C1y C 32.4525 -15.2599
12 C2x C 32.4535 -13.8500
13 C2x C 31.2312 -13.1513
14 C5x C 30.0080 -13.8483
15 O2a O 22.6890 -15.2545
16 O2a O 22.6890 -18.0752
17 O2a O 25.1389 -19.4844
18 C1a C 21.4660 -15.9657
19 C1a C 21.4660 -17.3779
20 O1a O 27.5448 -13.8955
21 C1a C 28.8287 -17.3694
22 O5x O 28.7920 -13.1510
23 O2a O 33.7522 -15.9726
24 C1b C 30.0389 -16.5336
25 C2b C 31.1600 -17.1399
26 C2a C 31.1184 -18.4159
27 C1a C 35.0354 -15.1783
28 C1a C 23.9239 -20.1907
BOND 29
1 13 14 1
2 14 9 1
3 6 8 1
4 2 15 1
5 2 3 2
6 3 16 1
7 8 1 1
8 4 17 1
9 3 4 1
10 15 18 1
11 1 9 1
12 16 19 1
13 4 5 2
14 5 6 1
15 8 20 1 #Down
16 6 7 2
17 1 21 1 #Down
18 7 2 1
19 14 22 2
20 11 23 1 #Down
21 9 10 1
22 9 24 1 #Up
23 10 11 1
24 24 25 1
25 11 12 1
26 25 26 2
27 12 13 2
28 23 27 1
29 17 28 1
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