ATOM 54
1 C1x C 26.4606 -24.1507
2 C1y C 26.4606 -22.7506
3 C1y C 27.7206 -22.0506
4 O2x O 28.9107 -22.7506
5 C1y C 28.9107 -24.1507
6 C1y C 27.7206 -24.8507
7 C1a C 27.7206 -26.2508
8 C1a C 25.2706 -22.0506
9 C1c C 27.7206 -20.6506
10 C1b C 26.4606 -19.9505
11 C1c C 30.1007 -24.8507
12 C6a C 28.9107 -19.9505
13 O6a O 30.1007 -20.6506
14 O6a O 28.9107 -18.5505
15 C1c C 31.3608 -24.1507
16 C1c C 32.5508 -24.8507
17 C5a C 33.7409 -24.1507
18 C1c C 34.9309 -24.8507
19 C1y C 36.1210 -24.1507
20 C1a C 30.1007 -26.2508
21 O1a O 31.3608 -22.7506
22 C1a C 32.5508 -26.2508
23 C1b C 34.9309 -26.2508
24 C1a C 36.1210 -26.9508
25 O5a O 33.7409 -22.7506
26 C1y C 36.1210 -22.7506
27 C1x C 37.3110 -22.0506
28 C1y C 38.5011 -22.7506
29 C1z C 38.5011 -24.1507
30 O2x O 37.3110 -24.8507
31 C1a C 34.8609 -22.0506
32 C1a C 39.7611 -22.0506
33 O2x O 39.7611 -23.4507
34 C1z C 40.9511 -24.1507
35 C5x C 40.9511 -25.5507
36 C2x C 39.7611 -26.2508
37 C2x C 38.5011 -25.5507
38 O5x O 42.2112 -26.2508
39 C1x C 40.9511 -22.7506
40 C1x C 42.2812 -22.3306
41 C1z C 43.1212 -23.4507
42 O2x O 42.2812 -24.5707
43 C1y C 44.4513 -23.4507
44 C1x C 45.2213 -22.1906
45 C1x C 46.6214 -22.1906
46 C1z C 47.3214 -23.4507
47 C1y C 46.6214 -24.6407
48 O2x O 45.2213 -24.6407
49 C1a C 43.8213 -22.2606
50 C1a C 47.2514 -25.8308
51 C1b C 48.3014 -22.4706
52 O1a O 48.3014 -24.4307
53 C1a C 49.6314 -22.8206
54 C1a C 25.2006 -20.6506
BOND 58
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Up
8 2 8 1 #Down
9 9 10 1 #Up
10 3 9 1
11 5 11 1
12 12 13 1
13 12 14 2
14 9 12 1
15 11 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 11 20 1 #Down
21 15 21 1 #Down
22 16 22 1 #Up
23 18 23 1 #Up
24 23 24 1
25 17 25 2
26 19 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 19 30 1
32 26 31 1 #Up
33 28 32 1 #Up
34 33 34 1
35 34 35 1
36 35 36 1
37 36 37 2
38 29 33 1 #Down
39 29 37 1 #Up
40 35 38 2
41 39 40 1
42 40 41 1
43 41 42 1
44 34 42 1 #Down
45 41 43 1
46 43 44 1
47 44 45 1
48 45 46 1
49 46 47 1
50 47 48 1
51 43 48 1
52 34 39 1 #Up
53 41 49 1 #Down
54 47 50 1 #Down
55 46 51 1 #Down
56 46 52 1 #Up
57 51 53 1
58 10 54 1
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