ATOM 50
1 C1a C 39.3754 -25.5002
2 C1z C 38.6456 -24.2298
3 O1a O 40.1148 -24.2301
4 C1y C 18.2688 -15.0751
5 C1y C 17.0697 -15.7847
6 C1y C 17.0833 -17.1851
7 C1x C 18.2995 -17.8631
8 C1y C 19.4987 -17.1535
9 O2x O 19.5518 -15.7660
10 O2a O 20.7117 -17.8260
11 O1a O 15.8853 -17.8968
12 O1a O 15.8560 -15.1004
13 C1a C 18.2574 -13.6817
14 C1y C 21.9167 -18.5258
15 C1x C 21.9167 -19.9192
16 C1x C 23.1289 -20.6206
17 C1y C 24.3316 -19.9192
18 O2x O 24.3316 -18.5258
19 C1y C 23.1289 -17.8337
20 C1a C 23.1314 -16.4403
21 O2a O 25.5399 -20.6133
22 C1y C 27.9236 -17.7917
23 C1y C 26.7245 -18.5012
24 C1y C 26.7379 -19.9017
25 C1x C 27.9541 -20.5796
26 C1y C 29.1535 -19.8701
27 O2x O 29.1364 -18.4826
28 C8y C 30.3665 -20.5426
29 O1a O 25.5105 -17.8167
30 C1a C 27.9120 -16.3982
31 C8y C 37.3661 -22.0117
32 C8y C 36.0865 -22.7511
33 C5x C 36.0874 -24.2376
34 C1x C 37.3682 -24.9656
35 C1x C 38.6467 -22.7493
36 C8y C 34.8068 -20.5237
37 C8y C 34.8068 -22.0117
38 C8x C 37.3702 -20.5237
39 C8x C 36.0885 -19.7843
40 C8x C 30.3610 -22.0213
41 C8x C 31.4796 -22.6469
42 C8y C 32.5887 -22.0213
43 C5x C 33.6977 -22.6469
44 C8y C 31.4701 -19.8981
45 C8y C 32.5887 -20.5330
46 C5x C 33.6882 -19.8885
47 O1a O 31.5305 -18.5046
48 O5x O 33.6786 -18.4951
49 O5x O 33.7041 -24.0499
50 O5x O 34.8730 -24.9123
BOND 56
1 2 3 1 #Up
2 2 1 1 #Down
3 26 28 1 #Up
4 24 21 1 #Up
5 8 10 1 #Up
6 23 29 1 #Down
7 4 5 1
8 22 30 1 #Up
9 14 15 1
10 15 16 1
11 16 17 1
12 17 18 1
13 18 19 1
14 19 14 1
15 31 32 2
16 32 33 1
17 33 34 1
18 34 2 1
19 2 35 1
20 35 31 1
21 6 11 1 #Up
22 19 20 1 #Down
23 14 10 1 #Down
24 5 6 1
25 36 37 2
26 37 32 1
27 31 38 1
28 38 39 2
29 39 36 1
30 17 21 1 #Up
31 5 12 1 #Down
32 40 41 1
33 6 7 1
34 41 42 2
35 4 13 1 #Up
36 42 43 1
37 43 37 1
38 40 28 2
39 7 8 1
40 28 44 1
41 8 9 1
42 44 45 2
43 9 4 1
44 45 46 1
45 46 36 1
46 22 23 1
47 44 47 1
48 23 24 1
49 46 48 2
50 42 45 1
51 24 25 1
52 43 49 2
53 25 26 1
54 33 50 2
55 26 27 1
56 27 22 1
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