ATOM 28
1 C1z C 27.2179 -16.3157
2 C1y C 26.0167 -15.6101
3 C1y C 27.2122 -17.7153
4 C1y C 28.4368 -15.6334
5 C1a C 27.7663 -14.9103
6 C1z C 24.8036 -16.3040
7 C5x C 26.0283 -14.2105
8 C1x C 26.0050 -18.4151
9 O2x O 28.4194 -18.4268
10 C2y C 28.4485 -14.2338
11 C1x C 29.6499 -16.3333
12 C1y C 24.7978 -17.7037
13 C5x C 23.5906 -15.6042
14 C1a C 24.7862 -15.1786
15 C2y C 27.2413 -13.5223
16 O5x O 24.8212 -13.2190
17 C1y C 29.7082 -17.7329
18 C1a C 29.6673 -13.5397
19 C1y C 23.5906 -18.4094
20 C2y C 22.3718 -16.3040
21 O5x O 23.5906 -14.2045
22 O2a O 27.2530 -12.1169
23 O1a O 30.8454 -18.4502
24 C2x C 22.3718 -17.7037
25 C1a C 23.5906 -19.8148
26 O2a O 21.1588 -15.6042
27 C1a C 28.4601 -11.4054
28 C1a C 19.9341 -16.2923
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 7 15 1
15 7 16 2
16 9 17 1
17 10 18 1
18 12 19 1
19 13 20 1
20 13 21 2
21 15 22 1
22 17 23 1
23 19 24 1
24 19 25 1 #Down
25 20 26 1
26 22 27 1
27 26 28 1
28 8 12 1
29 10 15 2
30 11 17 1
31 20 24 2
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