ATOM 57
1 O7a O 22.9337 -18.8429
2 C1y C 24.2383 -18.1941
3 C1z C 24.9128 -19.3798
4 O1a O 23.8707 -20.3483
5 O6a O 27.8888 -23.4527
6 C7a C 29.0699 -22.7686
7 C1y C 31.1488 -19.2325
8 C1y C 31.1488 -16.6373
9 C1y C 32.2735 -17.2913
10 C1z C 33.3989 -16.6511
11 C1x C 31.1638 -15.3431
12 N1y N 32.2896 -14.6962
13 C1y C 33.4101 -15.3597
14 C1x C 34.5394 -14.7041
15 C1x C 34.5481 -13.4130
16 C1y C 33.4275 -12.7495
17 C1x C 32.2982 -13.4051
18 O1a O 30.0142 -19.8744
19 O7a O 31.1356 -20.5303
20 O1a O 34.5068 -17.5330
21 C1y C 32.2468 -18.5789
22 C1a C 34.6477 -16.0872
23 C1a C 33.4135 -11.4467
24 O1a O 33.3783 -19.2325
25 C1z C 30.0213 -18.5838
26 C1y C 30.0181 -17.2857
27 C1x C 28.7842 -16.8837
28 C1y C 28.7894 -18.9919
29 C1z C 28.0232 -17.9335
30 C1y C 26.9619 -20.3082
31 C1y C 28.2588 -20.1721
32 C1y C 26.2028 -19.2568
33 C1z C 26.7387 -18.0723
34 C1x C 25.9846 -17.0179
35 C1x C 24.6876 -17.1408
36 O7a O 29.0557 -21.2757
37 C1a C 30.2473 -23.4470
38 C7a C 31.9572 -21.5931
39 O6a O 31.1324 -22.5666
40 C1c C 33.3182 -21.5325
41 C1a C 33.9941 -22.7884
42 C1b C 34.0106 -20.4262
43 C1a C 35.3717 -20.4358
44 O7a O 26.9973 -21.6601
45 C7a C 26.3770 -22.6982
46 C1a C 24.9525 -22.9841
47 O6a O 26.7226 -23.9373
48 O2x O 25.3093 -21.9138
49 C1a C 27.3428 -16.9135
50 C1d C 20.4510 -18.6896
51 C7a C 21.6249 -18.0054
52 O6a O 21.6249 -16.6444
53 C1c C 19.2698 -18.0054
54 C1a C 18.0887 -18.6896
55 O1a O 21.1420 -19.9450
56 C1a C 19.4901 -19.8091
57 O1a O 19.2698 -16.6090
BOND 63
1 27 29 1
2 28 25 1
3 2 1 1 #Up
4 8 26 1
5 9 21 1
6 25 18 1 #Down
7 28 29 1
8 29 33 1
9 32 30 1
10 30 31 1
11 31 28 1
12 7 19 1 #Down
13 21 24 1 #Up
14 32 33 1
15 33 34 1
16 34 35 1
17 35 2 1
18 3 32 1
19 8 9 1
20 31 36 1 #Down
21 36 6 1
22 9 10 1
23 6 37 1
24 10 20 1 #Up
25 19 38 1
26 10 13 1
27 38 39 2
28 12 11 1
29 38 40 1
30 10 22 1 #Down
31 40 41 1 #Up
32 11 8 1
33 40 42 1
34 42 43 1
35 16 23 1 #Up
36 30 44 1 #Down
37 12 13 1
38 44 45 1
39 13 14 1
40 45 46 1
41 14 15 1
42 45 47 2
43 15 16 1
44 29 48 1 #Down
45 16 17 1
46 3 48 1 #Down
47 17 12 1
48 33 49 1 #Up
49 3 2 1
50 25 7 1
51 7 21 1
52 50 51 1
53 51 1 1
54 51 52 2
55 5 6 2
56 50 53 1
57 3 4 1 #Up
58 53 54 1
59 25 26 1
60 50 55 1 #Up
61 26 27 1
62 50 56 1 #Down
63 53 57 1 #Up
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