ATOM 42
1 O1a O 28.7310 -19.9051
2 C1y C 29.9224 -19.2043
3 C1y C 31.1838 -19.9752
4 C1x C 32.3752 -19.2744
5 C1y C 32.3752 -17.8728
6 C1y C 31.1838 -17.1720
7 C1y C 29.9224 -17.8728
8 N1a N 31.1838 -21.3768
9 O2a O 28.7310 -17.1720
10 N1a N 33.6367 -17.1720
11 O2a O 31.1838 -15.7703
12 C1y C 32.3752 -15.0695
13 O2x O 33.5666 -15.7703
14 C1y C 34.7580 -15.0695
15 C1y C 34.7580 -13.6679
16 C1y C 33.5666 -12.9671
17 C1y C 32.3752 -13.6679
18 C1b C 36.0194 -15.7703
19 N1a N 31.1138 -12.9671
20 O1a O 33.5666 -11.5655
21 O1a O 35.9494 -12.9671
22 N1a N 36.0194 -17.1720
23 C1y C 25.5072 -18.9240
24 C1y C 26.9089 -18.9240
25 C1y C 27.3294 -17.5924
26 O2x O 26.2081 -16.7515
27 C1y C 25.0868 -17.5924
28 C1b C 23.7552 -17.1720
29 O1a O 22.7040 -18.0830
30 O2a O 24.6663 -20.0453
31 O1a O 27.7499 -20.0453
32 C1y C 21.0220 -20.7461
33 C1y C 21.0220 -22.1477
34 C1y C 22.2134 -22.8486
35 C1y C 23.4749 -22.1477
36 C1y C 23.4749 -20.7461
37 O2x O 22.2134 -20.0453
38 N1a N 24.6663 -22.8486
39 O1a O 19.8307 -22.8486
40 O1a O 22.2134 -24.2502
41 C1b C 19.8307 -20.0453
42 O1a O 18.6393 -20.7461
BOND 45
1 2 1 1 #Down
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 3 8 1 #Up
9 7 9 1 #Up
10 5 10 1 #Up
11 6 11 1 #Down
12 12 11 1 #Down
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 14 18 1 #Up
20 17 19 1 #Down
21 16 20 1 #Up
22 15 21 1 #Down
23 18 22 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 23 27 1
29 27 28 1 #Up
30 28 29 1
31 23 30 1 #Down
32 24 31 1 #Down
33 25 9 1 #Up
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 32 37 1
40 36 30 1 #Down
41 35 38 1 #Down
42 33 39 1 #Down
43 34 40 1 #Up
44 32 41 1 #Up
45 41 42 1
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