ATOM 26
1 C2y C 30.8788 -25.5500
2 C2x C 30.8788 -26.8724
3 C5x C 32.0620 -27.5684
4 C1z C 33.2452 -26.8724
5 C5x C 33.2452 -25.5500
6 C1z C 32.0620 -24.8540
7 C1z C 34.6372 -25.5500
8 C1z C 34.6372 -26.8724
9 C1x C 35.7508 -27.5684
10 C1x C 36.9339 -26.8724
11 C1y C 36.9339 -25.5500
12 C1y C 35.7508 -24.8540
13 O5x O 32.1316 -26.1764
14 O5x O 32.0620 -28.8908
15 C1a C 31.3660 -23.6708
16 C1z C 32.7580 -23.6708
17 O2x O 33.5932 -23.6708
18 C1x C 34.0108 -25.9676
19 C1a C 33.2452 -28.2644
20 O1a O 34.6372 -28.2644
21 C1a C 38.1171 -24.8540
22 O1a O 35.7508 -23.4620
23 O1a O 32.7580 -22.2789
24 C1c C 29.6569 -24.8511
25 C1a C 28.4652 -25.5458
26 C1a C 29.6512 -23.4503
BOND 29
1 1 2 2
2 2 3 1
3 3 4 1
4 5 6 1
5 1 6 1
6 5 7 1
7 4 8 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 5 13 2
15 3 14 2
16 6 15 1 #Up
17 6 16 1
18 16 17 1
19 7 17 1 #Down
20 16 18 1
21 4 18 1 #Down
22 4 19 1 #Up
23 8 20 1 #Up
24 11 21 1 #Up
25 12 22 1 #Down
26 16 23 1 #Down
27 1 24 1
28 24 25 1
29 24 26 1
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