ATOM 42
1 C8y C 13.6484 -13.0884
2 C8x C 13.6484 -14.4883
3 C8y C 14.8382 -15.1882
4 C8x C 14.8382 -12.3885
5 C8y C 16.0281 -13.0884
6 C8y C 16.0281 -14.4883
7 C8y C 17.2179 -15.1882
8 C8y C 18.4778 -14.4883
9 C8y C 18.4778 -13.0884
10 O2x O 17.2879 -12.3885
11 C8y C 19.6677 -12.3885
12 C8x C 20.8575 -13.0884
13 C8x C 22.0474 -12.4585
14 C8y C 22.0474 -11.0587
15 C8x C 20.8575 -10.3588
16 C8x C 19.6677 -11.0587
17 O1a O 14.8382 -16.5880
18 O1a O 12.4585 -12.3885
19 O5x O 17.2179 -16.5880
20 O1a O 23.2372 -10.3588
21 O2a O 19.8076 -15.1882
22 C1y C 21.2775 -16.5180
23 O2x O 21.2775 -17.8479
24 C1y C 22.4673 -18.5478
25 C1y C 23.6572 -17.8479
26 C1y C 23.6572 -16.5180
27 C1y C 22.4673 -15.8181
28 O1a O 22.4673 -14.4183
29 O1a O 24.8470 -15.8181
30 O1a O 24.8470 -18.5478
31 C1b C 22.4673 -19.9476
32 O2a O 21.2075 -20.6475
33 C1y C 20.0176 -19.9476
34 O2x O 20.0176 -18.5478
35 C1y C 18.8278 -17.8479
36 C1y C 17.6379 -18.5478
37 C1y C 17.6379 -19.9476
38 C1y C 18.8278 -20.6475
39 C1a C 18.8278 -16.4480
40 O1a O 16.4480 -17.8479
41 O1a O 16.4480 -20.6475
42 O1a O 18.8278 -22.0474
BOND 46
1 9 10 1
2 10 5 1
3 8 21 1
4 22 21 1 #Up
5 9 11 1
6 1 2 2
7 2 3 1
8 3 6 2
9 5 4 2
10 22 23 1
11 23 24 1
12 24 25 1
13 25 26 1
14 26 27 1
15 27 22 1
16 4 1 1
17 27 28 1 #Down
18 11 12 2
19 26 29 1 #Up
20 12 13 1
21 25 30 1 #Down
22 13 14 2
23 24 31 1 #Up
24 14 15 1
25 31 32 1
26 15 16 2
27 33 32 1 #Up
28 16 11 1
29 5 6 1
30 3 17 1
31 6 7 1
32 1 18 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 33 1
39 7 8 1
40 35 39 1 #Down
41 7 19 2
42 36 40 1 #Up
43 8 9 2
44 37 41 1 #Down
45 14 20 1
46 38 42 1 #Down
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