ATOM 54
1 C8y C 13.3318 -19.2321
2 C1b C 14.5520 -18.5276
3 C5a C 15.7723 -19.2321
4 N1b N 16.9925 -18.5276
5 C1c C 18.2127 -19.2321
6 C5a C 19.4330 -18.5276
7 N1b N 20.6532 -19.2321
8 C1b C 21.8734 -18.5276
9 C1b C 23.0937 -19.2321
10 C1b C 24.3139 -18.5276
11 C1b C 25.5342 -19.2321
12 C8y C 12.0446 -18.6590
13 C8y C 11.1018 -19.7061
14 N4x N 11.8063 -20.9263
15 C8x C 13.1846 -20.6333
16 C8y C 11.6092 -17.3190
17 C8x C 10.2310 -17.0260
18 C8x C 9.2882 -18.0731
19 C8x C 9.7235 -19.4131
20 O5a O 15.7723 -20.6409
21 C1b C 18.2127 -20.6410
22 C5a C 19.4181 -21.3369
23 N1a N 19.4181 -22.7460
24 O5a O 20.6139 -20.8578
25 O5a O 19.4330 -17.1189
26 C1b C 26.7400 -18.5276
27 N1b N 27.9603 -19.2321
28 C5a C 29.1805 -18.5276
29 C1c C 30.4007 -19.2321
30 C1b C 31.6210 -18.5276
31 O5a O 29.1805 -17.1186
32 N1a N 30.4007 -20.6410
33 C1b C 32.8620 -19.2444
34 C1b C 34.0760 -18.5437
35 C1b C 35.2654 -19.2306
36 N1d N 36.4674 -18.5366 #+
37 C1b C 37.6627 -19.2270
38 C1b C 38.8617 -18.5348
39 C1b C 40.0586 -19.2260
40 N1b N 41.2567 -18.5343
41 C5a C 42.4540 -19.2258
42 C1c C 43.6519 -18.5342
43 O5a O 42.4540 -20.6409
44 C1b C 44.8494 -19.2257
45 N1a N 43.6521 -17.1188
46 C1b C 46.0472 -18.5342
47 C1b C 47.2448 -19.2257
48 N1b N 48.4425 -18.5342
49 C2c C 49.6401 -19.2257
50 N1a N 50.8379 -18.5342
51 N2a N 49.6401 -20.6409
52 C1a C 37.4573 -17.1967
53 C1a C 35.4774 -17.2667
54 O1a O 12.5654 -16.2574
BOND 55
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 1 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 1 15 2
16 12 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 13 19 2
21 3 20 2
22 5 21 1
23 21 22 1
24 22 23 1
25 22 24 2
26 6 25 2
27 11 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 28 31 2
33 29 32 1
34 30 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 41 43 2
45 42 44 1
46 42 45 1
47 44 46 1
48 46 47 1
49 47 48 1
50 48 49 1
51 49 50 1
52 49 51 2
53 36 52 1
54 36 53 1
55 16 54 1
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