ATOM 50
1 N4y N 38.3082 -15.4219
2 C8y C 39.3777 -16.1602
3 C1y C 37.0295 -15.8405
4 C8x C 38.7906 -14.0270
5 C8y C 40.6099 -15.2535
6 N5x N 39.5114 -17.5783
7 O2x O 35.8902 -14.9860
8 C1y C 36.5994 -17.0901
9 N5x N 40.2379 -14.0327
10 C8y C 41.8656 -15.8056
11 C8x C 40.8368 -18.1655
12 C1y C 34.7860 -15.7823
13 C1y C 35.2159 -17.0901
14 O1a O 37.2561 -18.3632
15 N5x N 42.0282 -17.2935
16 N1a N 42.9699 -14.9804
17 C1b C 33.4664 -15.3523
18 O1a O 34.6987 -18.3398
19 O2b O 32.4318 -16.2763
20 P1b P 31.0367 -16.2763
21 O7a O 29.6477 -16.2763
22 O1c O 31.0311 -17.6714
23 O1c O 31.0311 -14.8874
24 C7a C 28.4299 -15.5851
25 C1b C 27.2192 -16.2841
26 O6a O 28.4248 -14.1874
27 C1b C 25.9923 -15.5954
28 C1b C 24.7810 -16.2947
29 C1b C 23.5697 -15.5954
30 C1b C 22.3585 -16.2947
31 C1b C 21.1470 -15.5954
32 C1b C 19.9358 -16.2947
33 C1b C 18.7246 -15.5954
34 C1b C 17.5132 -16.2947
35 C1b C 16.3020 -15.5954
36 C1b C 15.0905 -16.2947
37 C1b C 13.8793 -15.5954
38 C1b C 12.6681 -16.2947
39 C1b C 11.4567 -15.5954
40 C1b C 10.2455 -16.2947
41 C1b C 9.0342 -15.5954
42 C1b C 7.8128 -16.3006
43 C1b C 6.6134 -15.6079
44 C8y C 5.4020 -16.3072
45 C8x C 4.1731 -15.5976
46 C8x C 2.9617 -16.2968
47 C8y C 2.9616 -17.6956
48 C8x C 4.1906 -18.4052
49 C8x C 5.4019 -17.7060
50 O1a O 1.7328 -18.4051
BOND 53
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 5 9 1
24 11 15 1
25 12 13 1
26 21 24 1
27 24 25 1
28 24 26 2
29 25 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 39 40 1
43 40 41 1
44 41 42 1
45 42 43 1
46 43 44 1
47 44 45 2
48 45 46 1
49 46 47 2
50 47 48 1
51 48 49 2
52 44 49 1
53 47 50 1
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