ATOM 28
1 C8y C 28.7968 -18.8552
2 C8y C 27.5842 -18.1324
3 C8y C 30.0267 -18.1614
4 N5y N 28.7908 -20.2599 #+
5 C8y C 26.3660 -18.8259
6 C8x C 27.6018 -16.7276
7 C8y C 30.0384 -16.7626
8 C8x C 31.2157 -18.8785
9 C8x C 27.5609 -20.9420
10 C1a C 30.0091 -20.9536
11 C8y C 26.4126 -20.2308
12 C8y C 25.1536 -18.1150
13 C8x C 28.8258 -16.0515
14 C8x C 31.2507 -16.0806
15 C8y C 25.1360 -20.9361
16 C8x C 23.9296 -18.8202
17 C8y C 23.9179 -20.2249
18 O2a O 25.1245 -22.3350
19 O2a O 22.6937 -20.9011
20 C1a C 21.4930 -20.1899
21 C1a C 23.9112 -23.0224
22 O2a O 25.1590 -16.7204
23 C1a C 23.9539 -16.0185
24 C8y C 32.4457 -16.7858
25 C8y C 32.5026 -18.1775
26 O2x O 33.7523 -18.6199
27 C1x C 34.5806 -17.5015
28 O2x O 33.7731 -16.3681
BOND 32
1 4 9 1
2 4 10 1
3 5 11 1
4 5 12 1
5 6 13 2
6 7 14 1
7 8 25 2
8 11 15 1
9 12 16 2
10 14 24 2
11 15 17 2
12 15 18 1
13 17 19 1
14 19 20 1
15 7 13 1
16 9 11 2
17 16 17 1
18 18 21 1
19 1 2 1
20 12 22 1
21 1 3 1
22 22 23 1
23 1 4 2
24 2 5 2
25 2 6 1
26 3 7 2
27 3 8 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 24 1
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