ATOM 27
1 C1z C 31.5285 -20.2539
2 C1y C 30.5444 -21.2437
3 C1y C 31.5285 -18.8507
4 C1x C 32.7803 -20.8943
5 C1x C 31.5225 -21.7154
6 C1z C 29.1412 -21.2437
7 C5x C 31.1732 -22.4956
8 C1y C 30.5444 -17.8609
9 C1a C 32.8210 -18.3149
10 C1x C 32.5590 -22.2801
11 C1x C 30.1942 -21.6795
12 C1y C 28.1514 -20.2480
13 C1y C 29.1353 -22.6411
14 C1a C 28.3241 -22.3956
15 O5x O 30.5386 -23.7416
16 C1z C 29.1412 -17.8609
17 O1a O 31.0742 -16.5681
18 C1x C 28.1514 -18.8507
19 O7a O 26.8529 -20.7895
20 C1a C 28.7628 -23.9920
21 C2b C 29.5022 -16.5041
22 C1a C 28.6056 -16.5681
23 C7a C 25.6419 -20.0850
24 C2a C 29.1353 -15.1476
25 C1b C 24.4307 -20.7895
26 O6a O 25.6360 -18.6876
27 O1a O 23.2197 -20.0850
BOND 29
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 #Down
9 4 10 1
10 5 11 1
11 6 12 1
12 6 13 1 #Up
13 6 14 1 #Down
14 7 15 2
15 8 16 1
16 8 17 1 #Up
17 12 18 1
18 12 19 1 #Down
19 13 20 1
20 16 21 1 #Up
21 16 22 1 #Down
22 19 23 1
23 21 24 2
24 23 25 1
25 23 26 2
26 25 27 1
27 7 10 1
28 11 13 1
29 16 18 1
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