ATOM 39
1 S4a S 27.2856 -22.1032
2 O1d O 27.2785 -20.6541
3 O1d O 25.8435 -22.0963
4 O1d O 27.2785 -23.5455
5 C1y C 43.6751 -21.5372
6 N4y N 45.0094 -21.0959
7 O2x O 42.5867 -20.7379
8 C1y C 43.2703 -22.9018
9 C8y C 46.0640 -22.0252
10 C8x C 45.3044 -19.7315
11 C1y C 41.4527 -21.5664
12 C1y C 41.8765 -22.9018
13 O1a O 44.0871 -24.0242
14 N4x N 47.3981 -21.5841
15 O5x O 45.7807 -23.3900
16 C8x C 46.6280 -19.2844
17 C1b C 40.1232 -21.1368
18 O1a O 41.0336 -24.0184
19 C8y C 47.6801 -20.2135
20 O2b O 39.1354 -22.1143
21 O5x O 49.0167 -19.7782
22 P1b P 37.7417 -22.1143
23 O2c O 36.3477 -22.1143
24 O1c O 37.7359 -23.5080
25 O1c O 37.7359 -20.7203
26 P1b P 34.9597 -22.1083
27 O2b O 33.5601 -22.1083
28 O1c O 34.9480 -23.4963
29 O1c O 34.9480 -20.7145
30 C1y C 32.3475 -22.7955
31 O2x O 31.1479 -22.1083
32 C1y C 32.3475 -24.1891
33 C1y C 29.9426 -22.7955
34 C1y C 31.1479 -24.8903
35 O1a O 33.5601 -24.8903
36 C1y C 29.9426 -24.1891
37 C1b C 28.7371 -22.1083
38 O1a O 31.1479 -26.2841
39 O1a O 28.7371 -24.8903
BOND 41
1 1 4 1
2 1 3 2
3 1 2 2
4 5 6 1 #Up
5 5 7 1
6 5 8 1
7 6 9 1
8 6 10 1
9 7 11 1
10 8 12 1
11 8 13 1 #Down
12 9 14 1
13 9 15 2
14 10 16 2
15 11 17 1 #Up
16 12 18 1 #Down
17 14 19 1
18 17 20 1
19 19 21 2
20 20 22 1
21 22 23 1
22 22 24 1
23 22 25 2
24 23 26 1
25 26 27 1
26 26 28 1
27 26 29 2
28 30 27 1 #Down
29 30 31 1
30 30 32 1
31 31 33 1
32 32 34 1
33 32 35 1 #Down
34 33 36 1
35 33 37 1 #Up
36 34 38 1 #Up
37 36 39 1 #Down
38 11 12 1
39 16 19 1
40 34 36 1
41 37 1 1
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