ATOM 45
1 C1z C 28.4078 -16.5546
2 C1y C 28.8193 -17.8133
3 O2a O 26.7619 -17.9403
4 O2x O 29.4666 -15.7922
5 C1b C 27.4699 -15.6229
6 O2a O 28.8373 -19.9069
7 C1y C 30.1625 -17.8133
8 C1y C 24.9710 -19.2352
9 C1y C 30.5436 -16.5789
10 O1a O 26.1993 -15.9617
11 C1y C 29.9991 -20.7902
12 O1a O 30.9370 -18.8721
13 O2x O 23.8213 -18.5757
14 C1y C 24.9710 -20.5482
15 C1b C 31.8083 -16.1795
16 O2x O 31.1487 -20.1367
17 C1y C 29.9991 -22.1032
18 C1y C 22.6837 -19.2352
19 C1y C 23.8213 -21.2138
20 O1a O 26.1145 -21.2138
21 O1a O 32.7884 -17.0630
22 C1y C 32.2924 -20.7902
23 C1y C 31.1487 -22.7688
24 O1a O 28.8979 -22.7446
25 C1b C 21.5461 -18.5757
26 C1y C 22.6837 -20.5482
27 O1a O 23.8213 -22.5268
28 C1y C 32.2924 -22.1032
29 C1b C 33.4177 -20.1367
30 O1a O 31.1487 -24.0819
31 O2a O 20.0093 -18.2248
32 O1a O 21.5340 -21.8128
33 O1a O 33.4177 -22.7688
34 O1a O 34.4282 -20.9839
35 C1y C 18.3695 -19.4106
36 O2x O 17.2198 -18.7512
37 C1y C 18.3695 -20.7237
38 C1y C 16.0823 -19.4106
39 C1y C 17.2198 -21.3893
40 O1a O 19.5131 -21.3893
41 C1y C 16.0823 -20.7237
42 C1b C 14.9570 -18.7512
43 O1a O 17.2198 -22.7023
44 O1a O 14.9570 -21.3893
45 O1a O 13.9404 -19.6043
BOND 48
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1 #Down
6 2 7 1
7 8 3 1 #Down
8 4 9 1
9 5 10 1
10 11 6 1 #Up
11 7 12 1 #Up
12 8 13 1
13 8 14 1
14 9 15 1 #Down
15 11 16 1
16 11 17 1
17 13 18 1
18 14 19 1
19 14 20 1 #Down
20 15 21 1
21 16 22 1
22 17 23 1
23 17 24 1 #Up
24 18 25 1 #Up
25 18 26 1
26 19 27 1 #Up
27 22 28 1
28 22 29 1 #Down
29 23 30 1 #Down
30 25 31 1
31 26 32 1 #Down
32 28 33 1 #Down
33 29 34 1
34 35 31 1 #Down
35 35 36 1
36 35 37 1
37 36 38 1
38 37 39 1
39 37 40 1 #Down
40 38 41 1
41 38 42 1 #Up
42 39 43 1 #Up
43 41 44 1 #Up
44 42 45 1
45 7 9 1
46 19 26 1
47 23 28 1
48 39 41 1
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