ATOM 28
1 C1z C 27.7498 -18.0772
2 C1y C 28.8517 -18.7126
3 C1z C 26.6478 -18.7126
4 C1y C 27.7498 -16.8178
5 X Cl 27.7206 -19.3539
6 C1y C 29.9361 -18.0829
7 C1x C 28.8400 -19.9777
8 C2y C 26.6478 -19.9777
9 C2x C 25.5517 -18.0772
10 C1a C 26.6362 -17.4417
11 C1x C 28.8517 -16.1824
12 O1a O 26.6478 -16.1824
13 C1z C 29.9418 -16.8178
14 C1x C 32.1340 -18.0829
15 C1x C 27.7498 -20.6133
16 C2x C 25.5517 -20.6133
17 C2x C 24.4558 -18.7126
18 C1z C 31.0379 -16.1882
19 C1a C 29.9709 -15.2612
20 C1y C 32.1397 -16.8178
21 C5x C 24.4558 -19.9777
22 C5a C 31.0496 -14.2993
23 O1a O 32.2097 -15.2554
24 C1a C 33.2358 -16.1941
25 O5x O 23.3597 -20.6133
26 O5a O 29.4289 -13.3373
27 C1b C 32.2997 -13.5928
28 O1a O 33.4780 -14.2876
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 4 12 1 #Up
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 2
16 9 17 2
17 13 18 1
18 13 19 1 #Up
19 14 20 1
20 16 21 1
21 18 22 1 #Up
22 18 23 1 #Down
23 20 24 1 #Up
24 21 25 2
25 22 26 2
26 8 15 1
27 11 13 1
28 17 21 1
29 18 20 1
30 22 27 1
31 27 28 1
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