ATOM 35
1 C7a C 27.2255 -24.3012
2 C1a C 28.4367 -23.6020
3 O7a O 25.9581 -23.6513
4 O6a O 27.2255 -25.6996
5 C1y C 25.0749 -22.3091
6 O2x O 23.9332 -21.4839
7 C1x C 22.7987 -22.3091
8 C1z C 24.6325 -23.6383
9 C1y C 23.2408 -23.6391
10 C1y C 22.8114 -24.9630
11 O2x O 23.9378 -25.7801
12 C1x C 25.0703 -24.9617
13 C8y C 21.5877 -25.6926
14 C8x C 20.3807 -27.7903
15 C8y C 21.5877 -27.0911
16 C8x C 20.3807 -24.9934
17 C8y C 19.1665 -27.0911
18 C8y C 19.1731 -25.6970
19 O2x O 17.8494 -25.2602
20 C1x C 17.0251 -26.3841
21 O2x O 17.8391 -27.5157
22 O2a O 22.7992 -27.7895
23 C1a C 24.0098 -27.0892
24 O2a O 26.2996 -21.3631
25 C8y C 27.5081 -19.2652
26 C8y C 27.5081 -20.6638
27 C8x C 28.7221 -21.3629
28 C8x C 28.7221 -18.5659
29 C8y C 29.9291 -19.2652
30 C8y C 29.9282 -20.6574
31 O2x O 31.2520 -21.0885
32 C1x C 32.0778 -19.9627
33 O2x O 31.2533 -18.8358
34 O2a O 26.2974 -18.5654
35 C1a C 25.0930 -19.2640
BOND 40
1 8 5 1
2 8 9 1
3 17 18 2
4 18 19 1
5 19 20 1
6 20 21 1
7 21 17 1
8 8 3 1 #Down
9 9 10 1
10 10 11 1
11 11 12 1
12 15 22 1
13 12 8 1
14 22 23 1
15 5 6 1
16 5 24 1 #Up
17 10 13 1 #Down
18 6 7 1
19 7 9 1
20 1 4 2
21 25 26 1
22 26 27 2
23 27 30 1
24 29 28 1
25 28 25 2
26 17 14 1
27 14 15 2
28 15 13 1
29 13 16 2
30 16 18 1
31 29 30 2
32 30 31 1
33 31 32 1
34 32 33 1
35 33 29 1
36 26 24 1
37 25 34 1
38 1 3 1
39 34 35 1
40 1 2 1
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