ATOM 42
1 C8x C 25.7516 -21.3151
2 C8y C 27.0165 -21.9475
3 C8y C 24.5569 -21.9475
4 C8y C 27.0165 -23.4233
5 O2x O 28.2111 -21.3151
6 C8y C 24.5569 -23.4233
7 C1x C 28.2111 -24.1260
8 C8y C 25.7516 -24.1260
9 C1y C 29.4057 -22.0178
10 C1y C 29.4057 -23.4233
11 O1a O 25.7516 -25.2515
12 O1a O 30.5301 -24.1260
13 C8y C 30.6004 -21.3151
14 C8x C 31.7950 -22.0178
15 C8x C 30.6004 -19.9096
16 C8y C 32.9897 -21.3151
17 C8x C 31.7950 -19.2069
18 C8y C 32.9897 -19.9096
19 O1a O 34.2546 -22.0178
20 O1a O 34.2546 -19.2069
21 O1a O 23.4325 -21.3151
22 C1y C 22.9169 -24.5411
23 C1y C 21.7238 -23.8456
24 C1y C 20.5037 -24.5432
25 O2x O 20.4979 -25.9486
26 C8y C 21.6910 -26.6441
27 C8y C 22.9111 -25.9465
28 C8x C 21.6851 -28.0496
29 C8y C 22.8993 -28.7574
30 C8x C 24.1194 -28.0597
31 C8y C 24.1253 -26.6543
32 O1a O 21.7297 -22.4379
33 C8y C 19.2751 -23.8269
34 C8x C 19.2813 -22.4378
35 C8y C 18.0671 -21.7298
36 C8y C 16.8470 -22.4272
37 C8x C 16.8409 -23.8162
38 C8x C 18.0549 -24.5243
39 O1a O 18.0735 -20.3297
40 O1a O 15.6239 -21.7137
41 O1a O 22.8936 -30.1676
42 O1a O 25.2122 -26.0925
BOND 47
1 1 2 1
2 1 3 2
3 2 4 2
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1
8 5 9 1
9 7 10 1
10 8 11 1
11 10 12 1 #Down
12 6 8 2
13 9 10 1
14 9 13 1 #Down
15 13 14 2
16 13 15 1
17 14 16 1
18 15 17 2
19 16 18 2
20 16 19 1
21 18 20 1
22 17 18 1
23 3 21 1
24 22 6 1 #Up
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 26 28 2
32 28 29 1
33 29 30 2
34 30 31 1
35 27 31 2
36 23 32 1 #Down
37 24 33 1 #Down
38 33 34 2
39 34 35 1
40 35 36 2
41 36 37 1
42 37 38 2
43 33 38 1
44 35 39 1
45 36 40 1
46 29 41 1
47 31 42 1
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