ATOM 30
1 C1y C 23.7290 -21.7347
2 C1y C 24.9524 -21.0175
3 C1y C 22.5059 -21.0368
4 C2y C 23.7290 -23.1437
5 C1y C 26.1818 -21.7219
6 C1b C 24.9459 -19.6214
7 C1x C 21.3019 -21.7347
8 O7a O 22.5696 -19.6471
9 C2x C 22.5059 -23.8545
10 C2x C 24.9587 -23.8482
11 C2x C 26.1883 -23.1501
12 C1a C 27.3858 -21.0240
13 C1b C 26.1177 -18.8849
14 C1y C 21.3019 -23.1437
15 C7a C 21.3019 -18.9490
16 C1c C 26.1371 -17.5273
17 O1a O 20.0916 -23.8354
18 C1c C 19.9891 -19.5510
19 O6a O 21.2956 -17.5529
20 C1b C 27.3411 -16.8229
21 O1a O 24.9267 -16.8357
22 C1b C 18.7852 -18.8529
23 C1a C 19.9891 -20.9406
24 C1c C 27.4046 -15.4268
25 C1a C 17.5812 -19.5510
26 C1b C 26.1114 -14.7352
27 O1a O 28.5386 -14.7287
28 C6a C 26.1177 -13.3390
29 O6a O 27.3346 -12.6539
30 O6a O 24.9139 -12.6411
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Down
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 8 15 1
15 13 16 1
16 14 17 1 #Up
17 15 18 1
18 15 19 2
19 16 20 1
20 16 21 1 #Up
21 18 22 1
22 18 23 1 #Up
23 20 24 1
24 22 25 1
25 24 26 1
26 24 27 1 #Down
27 26 28 1
28 28 29 1
29 28 30 2
30 9 14 1
31 10 11 2
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