ATOM 55
1 O6a O 25.9183 -13.0953
2 C1y C 35.5384 -14.0687
3 C1y C 36.2285 -12.8699
4 C1y C 35.5311 -11.6651
5 C1y C 34.1498 -11.6699
6 C1y C 33.4596 -12.8758
7 O2x O 34.1509 -14.0699
8 O7a O 32.0747 -12.8774
9 O1a O 36.2198 -10.4654
10 C6a C 36.2326 -15.2653
11 O1a O 37.6135 -12.8665
12 O1a O 33.4542 -10.4741
13 O6a O 35.5417 -16.4708
14 O6a O 37.6174 -15.2633
15 C2y C 34.9077 -20.5090
16 C2y C 35.9736 -21.3183
17 N1x N 35.3500 -19.2437
18 C2y C 37.0812 -20.5464
19 C5x C 36.6860 -19.2734
20 C2y C 23.2337 -20.5565
21 C2y C 22.1410 -21.3487
22 N1x N 22.8172 -19.2795
23 C2y C 20.9826 -20.6198
24 C1a C 22.1248 -22.7317
25 C5x C 21.4094 -19.3402
26 O5x O 20.8374 -18.0890
27 C8y C 30.3919 -20.5389
28 C8y C 30.8072 -19.2644
29 C1b C 29.0286 -21.2198
30 N4x N 31.4768 -21.3205
31 C8y C 32.1461 -19.2644
32 C1b C 30.4445 -17.9540
33 C8y C 27.6958 -20.5389
34 C8y C 32.5543 -20.5389
35 C1a C 32.8036 -18.0909
36 C1b C 30.8015 -16.6502
37 C8y C 27.2803 -19.2761
38 N4x N 26.6168 -21.3394
39 C2b C 33.7106 -21.2023
40 C7a C 30.4328 -15.3350
41 C8y C 25.9534 -19.2761
42 C1b C 27.6186 -17.9715
43 C8y C 25.5262 -20.5389
44 O6a O 29.6640 -15.3467
45 C1a C 25.2781 -18.1026
46 C1b C 27.2686 -16.6678
47 C2b C 24.3771 -21.2198
48 C6a C 27.5999 -15.3642
49 O6a O 28.4716 -15.3467
50 C2b C 35.9431 -22.7030
51 C2a C 37.1253 -23.4217
52 C2b C 19.6628 -21.0353
53 C2a C 19.3620 -22.3874
54 C1a C 38.3894 -20.9964
55 O5x O 37.5228 -18.1645
BOND 59
1 6 8 1 #Up
2 2 3 1
3 4 9 1 #Up
4 3 4 1
5 15 16 1
6 15 17 1
7 16 18 2
8 17 19 1
9 18 19 1
10 2 10 1 #Up
11 4 5 1
12 3 11 1 #Down
13 5 6 1
14 5 12 1 #Down
15 6 7 1
16 10 13 1
17 20 21 1
18 20 22 1
19 21 23 2
20 21 24 1
21 27 28 2
22 27 29 1
23 27 30 1
24 28 31 1
25 28 32 1
26 29 33 1
27 30 34 1
28 31 35 1
29 32 36 1
30 33 37 2
31 33 38 1
32 34 39 1
33 36 40 1
34 37 41 1
35 37 42 1
36 38 43 1
37 40 8 1
38 40 44 2
39 41 45 1
40 42 46 1
41 43 47 1
42 46 48 1
43 47 20 2
44 48 1 1
45 48 49 2
46 31 34 2
47 41 43 2
48 39 15 2
49 22 25 1
50 16 50 1
51 25 26 2
52 50 51 2
53 23 25 1
54 23 52 1
55 7 2 1
56 52 53 2
57 10 14 2
58 18 54 1
59 19 55 2
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