ATOM 55
1 O2a O 31.3316 -18.7733
2 C1y C 32.5243 -18.0012
3 C1x C 33.7354 -18.7005
4 C1y C 34.9465 -18.0012
5 C1z C 34.9465 -16.6027
6 C1x C 33.7354 -15.9035
7 C1x C 32.5243 -16.6027
8 C1x C 36.1577 -18.7005
9 C1x C 37.3688 -18.0012
10 C1y C 37.3688 -16.6027
11 C1y C 36.1577 -15.9035
12 C1z C 38.5799 -15.9035
13 C1z C 38.5799 -14.5050
14 C1y C 37.3688 -13.8057
15 C1x C 36.1577 -14.5050
16 C1x C 39.9100 -16.3356
17 C1x C 40.7320 -15.2042
18 C1y C 39.9100 -14.0729
19 C2y C 40.3487 -12.7213
20 C2x C 41.7579 -12.7496
21 C7x C 42.2219 -11.4223
22 O7x O 41.1031 -10.5709
23 C1x C 39.9477 -11.3717
24 O6a O 43.5454 -11.0249
25 C1a C 38.5799 -13.1065
26 O1a O 38.5799 -17.3020
27 C1a C 34.9465 -15.2042
28 C1y C 30.0807 -18.1338
29 O2x O 30.0807 -16.7353
30 C1y C 28.8695 -16.0361
31 C1y C 27.6584 -16.7353
32 C1y C 27.6584 -18.1338
33 C1x C 28.8695 -18.8331
34 O2a O 26.4473 -16.0361
35 C1y C 25.2361 -16.7353
36 O2x O 25.2361 -18.1338
37 O1a O 26.4473 -18.8331
38 C1x C 24.0250 -16.0361
39 C1y C 22.8139 -16.7353
40 C1y C 22.8139 -18.1338
41 C1y C 24.0250 -18.8331
42 O1a O 21.6027 -16.0361
43 O2x O 20.3916 -16.7353
44 C1y C 20.3916 -18.1338
45 O2a O 21.6027 -18.8331
46 C1y C 19.1805 -16.0361
47 C1y C 17.9693 -16.7353
48 C1y C 17.9693 -18.1338
49 C1x C 19.1805 -18.8331
50 O1a O 16.7582 -16.0361
51 O1a O 16.7582 -18.8331
52 C1a C 28.8692 -14.6184
53 C1a C 24.0246 -20.2119
54 C1a C 19.1806 -14.6182
55 O1a O 37.3688 -12.4057
BOND 62
1 2 1 1 #Up
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 4 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 5 11 1
13 10 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 11 15 1
18 12 16 1
19 16 17 1
20 17 18 1
21 13 18 1
22 18 19 1 #Up
23 19 20 2
24 20 21 1
25 21 22 1
26 22 23 1
27 19 23 1
28 21 24 2
29 13 25 1 #Up
30 12 26 1 #Up
31 5 27 1 #Up
32 28 1 1 #Up
33 28 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 32 33 1
38 28 33 1
39 31 34 1 #Down
40 35 34 1 #Down
41 35 36 1
42 32 37 1 #Down
43 35 38 1
44 38 39 1
45 39 40 1
46 40 41 1
47 36 41 1
48 39 42 1 #Up
49 43 44 1
50 44 45 1 #Up
51 40 45 1 #Up
52 43 46 1
53 46 47 1
54 47 48 1
55 48 49 1
56 44 49 1
57 47 50 1 #Down
58 48 51 1 #Down
59 30 52 1 #Up
60 41 53 1 #Down
61 46 54 1 #Up
62 14 55 1 #Up
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