ATOM 45
1 O1a O 36.0810 -17.8751
2 C1y C 37.2724 -17.1743
3 C1y C 38.5338 -17.9452
4 C1x C 39.7252 -17.2444
5 C1y C 39.7252 -15.8428
6 C1y C 38.5338 -15.1420
7 C1y C 37.2724 -15.8428
8 N1a N 38.5338 -19.3468
9 O2a O 36.0810 -15.1420
10 N1a N 40.9867 -15.1420
11 O2a O 38.5338 -13.7403
12 C1y C 39.7252 -13.0395
13 O2x O 40.9166 -13.7403
14 C1y C 42.1080 -13.0395
15 C1y C 42.1080 -11.6379
16 C1y C 40.9166 -10.9371
17 C1y C 39.7252 -11.6379
18 C1b C 43.3694 -13.7403
19 N1a N 38.4638 -10.9371
20 O1a O 40.9166 -9.5355
21 O1a O 43.2994 -10.9371
22 O1a O 43.3694 -15.1420
23 C1y C 32.8572 -16.8940
24 C1y C 34.2589 -16.8940
25 C1y C 34.6794 -15.5624
26 O2x O 33.5581 -14.7215
27 C1y C 32.4368 -15.5624
28 C1b C 31.1052 -15.1420
29 O1a O 30.0540 -16.0530
30 O2a O 32.0163 -18.0153
31 O1a O 35.0999 -18.0153
32 C1y C 28.3720 -18.7161
33 C1y C 28.3720 -20.1177
34 C1y C 29.5634 -20.8186
35 C1y C 30.8249 -20.1177
36 C1y C 30.8249 -18.7161
37 O2x O 29.5634 -18.0153
38 N1b N 32.0163 -20.8186
39 O1a O 27.1807 -20.8186
40 O1a O 29.5634 -22.2202
41 C1b C 27.1807 -18.0153
42 O1a O 25.9893 -18.7161
43 C5a C 32.0163 -22.2202
44 O5a O 30.8249 -22.9210
45 C1a C 33.2077 -22.9210
BOND 48
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
46 38 43 1
47 43 44 2
48 43 45 1
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