ATOM 42
1 O1a O 20.0403 -18.2154
2 C1y C 21.2310 -17.5150
3 C1y C 22.4917 -18.2855
4 C1x C 23.6825 -17.5851
5 C1y C 23.6825 -16.1842
6 C1y C 22.4917 -15.4838
7 C1y C 21.2310 -16.1842
8 N1a N 22.4917 -19.6864
9 O2a O 20.0403 -15.4838
10 N1a N 24.9433 -15.4838
11 O2a O 22.4917 -14.0829
12 C1y C 23.6825 -13.3825
13 O2x O 24.8732 -14.0829
14 C1y C 26.0640 -13.3825
15 C1y C 26.0640 -11.9816
16 C1y C 24.8732 -11.2812
17 C1y C 23.6825 -11.9816
18 C1b C 27.3247 -14.0829
19 N1a N 22.4218 -11.2812
20 O1a O 24.8732 -9.8803
21 O1a O 27.2548 -11.2812
22 O1a O 27.3247 -15.4838
23 C1y C 16.8182 -17.2349
24 C1y C 18.2191 -17.2349
25 C1y C 18.6394 -15.9040
26 O2x O 17.5187 -15.0635
27 C1y C 16.3980 -15.9040
28 C1b C 15.0672 -15.4838
29 O1a O 14.0165 -16.3943
30 O2a O 15.9778 -18.3556
31 O1a O 19.0597 -18.3556
32 C1y C 12.3354 -19.0560
33 C1y C 12.3354 -20.4569
34 C1y C 13.5262 -21.1574
35 C1y C 14.7870 -20.4569
36 C1y C 14.7870 -19.0560
37 O2x O 13.5262 -18.3556
38 N1a N 15.9778 -21.1574
39 O1a O 11.1448 -21.1574
40 O1a O 13.5262 -22.5583
41 C4a C 11.1448 -18.3556
42 O4a O 9.9540 -19.0560
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 2
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