ATOM 27
1 C1z C 26.6456 -16.0123
2 C1y C 25.3984 -15.2896
3 C1y C 26.6397 -17.4457
4 C1y C 27.8986 -15.3070
5 C1x C 26.9894 -14.9107
6 C1z C 24.1689 -16.0006
7 C1z C 25.4276 -13.8443
8 C1x C 25.4043 -18.1626
9 O7x O 27.8810 -18.1683
10 C2y C 27.9102 -13.8677
11 C1x C 29.1397 -16.0297
12 O2x O 26.5409 -14.0367
13 C1y C 24.1630 -17.4340
14 C1y C 22.9217 -15.2837
15 C1a C 24.1573 -14.8353
16 C1y C 26.6806 -13.1391
17 O1a O 24.2506 -12.7776
18 C7x C 29.1281 -17.4633
19 C2a C 29.1630 -13.1567
20 C2y C 22.9217 -18.1567
21 C5x C 21.6804 -16.0006
22 O1a O 22.7876 -13.8384
23 O1a O 26.6923 -11.7056
24 O6a O 30.3636 -18.1917
25 C2x C 21.6804 -17.4340
26 C1a C 22.8576 -19.5903
27 O5x O 20.4334 -15.2720
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 5 12 1
12 6 13 1
13 6 14 1
14 6 15 1 #Up
15 7 16 1
16 7 17 1
17 9 18 1
18 10 19 2
19 13 20 1
20 14 21 1
21 14 22 1 #Up
22 16 23 1 #Down
23 18 24 2
24 20 25 2
25 20 26 1
26 21 27 2
27 7 12 1 #Up
28 8 13 1
29 10 16 1
30 11 18 1
31 21 25 1
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