ATOM 23
1 C1z C 27.6014 -17.9315
2 C1z C 28.8134 -18.6366
3 O2x O 27.5956 -19.3358
4 C1x C 26.3953 -18.6366
5 C5x C 27.6130 -16.5330
6 C4a C 30.0253 -17.9198
7 C1a C 28.8075 -20.0291
8 C1z C 25.1834 -17.9257
9 C2x C 26.4069 -15.8338
10 O5x O 28.8308 -15.8455
11 C2y C 25.1891 -16.5273
12 C1y C 23.9832 -18.6307
13 C1a C 25.1717 -19.3182
14 C1y C 23.9773 -15.8338
15 C1y C 22.7654 -17.9257
16 C1a C 23.9832 -20.0291
17 C1y C 22.7654 -16.5273
18 O2x O 22.7595 -15.1289
19 O7a O 21.5476 -18.6307
20 C7a C 20.3356 -17.9315
21 C1a C 19.1237 -18.6366
22 O6a O 20.3999 -16.5330
23 O4a O 31.2399 -18.6041
BOND 26
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 8 11 1
11 8 12 1
12 8 13 1 #Up
13 11 14 1
14 12 15 1
15 12 16 1 #Up
16 14 17 1
17 14 18 1
18 15 19 1 #Up
19 19 20 1
20 20 21 1
21 20 22 2
22 2 3 1 #Up
23 9 11 2
24 15 17 1
25 17 18 1
26 6 23 2
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