ATOM 42
1 O1a O 20.0511 -17.8751
2 C1y C 21.2425 -17.1743
3 C1y C 22.5039 -17.9452
4 C1x C 23.6953 -17.2444
5 C1y C 23.6953 -15.8428
6 C1y C 22.5039 -15.1420
7 C1y C 21.2425 -15.8428
8 N1a N 22.5039 -19.3469
9 O2a O 20.0511 -15.1420
10 N1a N 24.9568 -15.1420
11 O2a O 22.5039 -13.7403
12 C1y C 23.6953 -13.0395
13 O2x O 24.8867 -13.7403
14 C1y C 26.0781 -13.0395
15 C1y C 26.0781 -11.6379
16 C1y C 24.8867 -10.9371
17 C1y C 23.6953 -11.6379
18 C1b C 27.3395 -13.7403
19 N1a N 22.4339 -10.9371
20 O1a O 24.8867 -9.5355
21 O1a O 27.2695 -10.9371
22 O1a O 27.3395 -15.1420
23 C1y C 16.8273 -16.8940
24 C1y C 18.2290 -16.8940
25 C1y C 18.6495 -15.5624
26 O2x O 17.5282 -14.7215
27 C1y C 16.4069 -15.5624
28 C1b C 15.0753 -15.1420
29 O1a O 14.0241 -16.0530
30 O2a O 15.9864 -18.0153
31 O1a O 19.0700 -18.0153
32 C1y C 12.3421 -18.7161
33 C1y C 12.3421 -20.1178
34 C1y C 13.5335 -20.8187
35 C1y C 14.7950 -20.1178
36 C1y C 14.7950 -18.7161
37 O2x O 13.5335 -18.0153
38 N1a N 15.9864 -20.8187
39 O1a O 11.1508 -20.8187
40 O1a O 13.5335 -22.2203
41 C1b C 11.1508 -18.0153
42 O1a O 9.9594 -18.7161
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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