ATOM 47
1 O2a O 19.4176 -17.6639
2 C1y C 19.4176 -16.2874
3 C1y C 20.6044 -15.5754
4 C1y C 18.1836 -15.5754
5 C1y C 20.6044 -14.1989
6 O1a O 21.8385 -16.2874
7 C1y C 18.1836 -14.1989
8 O1a O 17.2344 -16.4299
9 O2a O 21.7911 -13.4869
10 O2x O 19.4176 -13.4869
11 C1b C 16.9970 -13.4869
12 C1y C 21.8385 -12.1105
13 C1y C 23.0253 -11.3985
14 C1y C 20.6044 -11.3985
15 C1y C 23.0253 -10.0220
16 N1b N 24.2593 -12.2053
17 C1y C 20.6044 -10.0220
18 O1a O 19.4176 -12.0628
19 O2x O 21.8385 -9.3100
20 O2a O 24.2118 -9.3100
21 C1b C 19.4176 -9.3100
22 C1z C 17.9463 -18.8032
23 O2x O 16.7597 -18.0912
24 C1x C 17.9463 -20.1797
25 C6a C 19.1329 -19.4203
26 C1y C 15.5256 -18.8032
27 C1y C 16.7597 -20.8916
28 O6a O 20.3196 -18.7082
29 O6a O 19.1329 -20.8443
30 C1y C 15.5256 -20.1797
31 O1a O 16.7597 -22.2683
32 N1b N 14.2914 -20.8916
33 C5a C 14.2914 -22.3631
34 C1a C 13.0098 -23.0752
35 O5a O 15.5256 -23.0752
36 O1a O 18.1810 -9.9968
37 O1a O 15.7731 -14.1663
38 C1c C 14.2686 -18.0836
39 C1c C 13.0387 -18.7936
40 C1b C 11.8089 -18.0836
41 O1a O 10.5792 -18.7936
42 C5a C 25.4617 -11.4802
43 C1a C 26.6916 -12.1903
44 O5a O 25.4481 -10.2733
45 R R 25.6319 -9.3100
46 O1a O 14.2658 -16.6603
47 O1a O 13.0383 -19.8892
BOND 49
1 2 1 1 #Up
2 2 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 4 8 1 #Up
8 5 9 1 #Up
9 5 10 1
10 7 11 1 #Up
11 12 9 1 #Up
12 12 13 1
13 12 14 1
14 13 15 1
15 13 16 1 #Down
16 14 17 1
17 14 18 1 #Down
18 15 19 1
19 15 20 1 #Up
20 17 21 1 #Up
21 7 10 1
22 17 19 1
23 22 23 1
24 22 1 1 #Down
25 22 24 1
26 22 25 1 #Up
27 23 26 1
28 24 27 1
29 25 28 1
30 25 29 2
31 26 30 1
32 27 31 1 #Down
33 27 30 1
34 30 32 1 #Up
35 32 33 1
36 33 34 1
37 33 35 2
38 21 36 1
39 11 37 1
40 26 38 1 #Down
41 38 39 1
42 39 40 1
43 40 41 1
44 16 42 1
45 42 43 1
46 42 44 2
47 20 45 1
48 38 46 1 #Up
49 39 47 1 #Down
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