ATOM 27
1 C1z C 26.6672 -16.0135
2 C1y C 25.4213 -15.2765
3 C1y C 26.6614 -17.4465
4 C1y C 27.9190 -15.3056
5 C1x C 26.8544 -14.9723
6 C1z C 24.1696 -16.0018
7 C1z C 25.4330 -13.8375
8 C1x C 25.4095 -18.1659
9 O7x O 27.9014 -18.1776
10 C1y C 27.9306 -13.8609
11 C1x C 29.0948 -16.0310
12 O2x O 26.4851 -14.1645
13 C1y C 24.1638 -17.4406
14 C1y C 22.9296 -15.2705
15 C1a C 24.1579 -14.5511
16 C1y C 26.6906 -13.1296
17 O1a O 24.1930 -12.6864
18 C7x C 29.1473 -17.4699
19 C1a C 29.1824 -13.1473
20 C2y C 22.9296 -18.1601
21 C1y C 21.6720 -16.0018
22 O1a O 22.9296 -13.8316
23 O1a O 26.7023 -11.6849
24 O6a O 30.3990 -18.2010
25 C2x C 21.6720 -17.4406
26 C1a C 22.9879 -19.6049
27 O1a O 20.4260 -15.2705
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 1 #Down
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 1 #Down
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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