ATOM 57
1 C1z C 17.8021 -20.5870
2 O2x O 19.0276 -21.2669
3 O2x O 16.6034 -19.8892
4 C1y C 17.8021 -21.9824
5 C2x C 17.8021 -19.1825
6 C1y C 20.2263 -20.5600
7 C1y C 15.3958 -20.5870
8 C1x C 16.6034 -22.6802
9 O1a O 19.0097 -22.6802
10 C2y C 18.9918 -18.4759
11 C1x C 20.2173 -19.1646
12 C1c C 21.4427 -21.2490
13 C1x C 15.3958 -21.9824
14 C1b C 14.1792 -19.8892
15 C1a C 18.9664 -17.1609
16 C2b C 22.6415 -20.5333
17 C1a C 21.4518 -22.6265
18 C1d C 12.9716 -20.5870
19 C2b C 23.8491 -21.2220
20 C6a C 11.8714 -19.7283
21 C1a C 12.2738 -21.7857
22 O1a O 13.6694 -21.7857
23 C1y C 25.0566 -20.5154
24 O6a O 11.8893 -18.4401
25 O6a O 10.4611 -20.8860
26 O2x O 26.2733 -21.2041
27 C1x C 25.4771 -19.0842
28 C1z C 27.3646 -20.5333
29 C1x C 26.9262 -19.0842
30 O2x O 28.5722 -19.8355
31 C1x C 27.3646 -21.9287
32 C1y C 29.7798 -20.5333
33 C1x C 28.5722 -22.6265
34 C1y C 29.7798 -21.9287
35 C1y C 30.9964 -19.8355
36 O2x O 30.9964 -22.6265
37 C2y C 32.1952 -20.5333
38 O1a O 30.9964 -18.4401
39 C1y C 32.1952 -21.9287
40 C2a C 33.4027 -19.8355
41 C1c C 33.4027 -22.6265
42 C1b C 34.9413 -22.0003
43 O1a O 33.4027 -24.0130
44 C1c C 36.4350 -22.6265
45 C1y C 37.6338 -21.9287
46 C1a C 36.4350 -24.0130
47 O2x O 38.8413 -22.6265
48 C1y C 37.6338 -20.5333
49 C1z C 40.0489 -21.9287
50 C1x C 38.8413 -19.8355
51 C1a C 36.4350 -19.8355
52 C1x C 40.0489 -20.5333
53 C1x C 40.0313 -23.2973
54 O2x O 41.2476 -21.2132
55 C1x C 41.2388 -23.9951
56 C1x C 42.4464 -21.9108
57 C1x C 42.4464 -23.3064
BOND 63
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Down
9 5 10 2
10 6 11 1
11 6 12 1
12 7 13 1
13 7 14 1
14 10 15 1
15 12 16 1
16 12 17 1 #Up
17 14 18 1
18 16 19 2
19 18 20 1
20 18 21 1 #Down
21 18 22 1 #Up
22 19 23 1
23 20 24 2
24 20 25 1
25 23 26 1
26 23 27 1
27 28 26 1 #Down
28 27 29 1
29 28 30 1
30 28 31 1
31 30 32 1
32 31 33 1
33 32 34 1
34 32 35 1
35 34 36 1
36 35 37 1
37 35 38 1 #Down
38 36 39 1
39 37 40 2
40 39 41 1
41 41 42 1
42 41 43 1 #Down
43 42 44 1
44 44 45 1
45 44 46 1 #Up
46 45 47 1
47 45 48 1
48 47 49 1
49 48 50 1
50 48 51 1 #Down
51 49 52 1
52 49 53 1 #Down
53 49 54 1 #Up
54 53 55 1
55 54 56 1
56 55 57 1
57 8 13 1
58 10 11 1
59 28 29 1
60 33 34 1
61 37 39 1
62 50 52 1
63 56 57 1
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