ATOM 57
1 C1b C 15.3547 -21.6356
2 C2b C 16.5726 -20.9295
3 C2c C 17.7905 -21.6356
4 C1a C 19.0081 -20.9295
5 C1a C 17.7905 -23.0407
6 C1b C 10.4897 -21.6428
7 C2b C 11.7077 -20.9366
8 C2c C 12.9254 -21.6428
9 C1b C 14.1432 -20.9366
10 C1a C 12.9254 -23.0478
11 C2y C 9.2698 -20.9300
12 C5x C 8.0676 -21.6224
13 C2y C 9.2667 -19.5389
14 C2y C 6.8922 -20.9236
15 O5x O 8.0619 -22.9837
16 C5x C 8.0676 -18.8519
17 C2y C 6.8922 -19.5389
18 O2a O 5.6992 -21.5933
19 O5x O 8.0619 -17.4847
20 O1a O 5.6992 -18.8519
21 C1a C 4.5248 -20.9061
22 C1a C 10.4608 -18.8448
23 C1b C 10.4897 -21.6428
24 C2b C 11.7077 -20.9366
25 C2c C 12.9254 -21.6428
26 C1b C 14.1432 -20.9366
27 C1a C 12.9254 -23.0478
28 C1b C 10.4897 -21.6428
29 C2b C 11.7077 -20.9366
30 C2c C 12.9254 -21.6428
31 C1b C 14.1432 -20.9366
32 C1a C 12.9254 -23.0478
33 C1b C 10.4897 -21.6428
34 C2b C 11.7077 -20.9366
35 C2c C 12.9254 -21.6428
36 C1b C 14.1432 -20.9366
37 C1a C 12.9254 -23.0478
38 C1b C 10.4897 -21.6428
39 C2b C 11.7077 -20.9366
40 C2c C 12.9254 -21.6428
41 C1b C 14.1432 -20.9366
42 C1a C 12.9254 -23.0478
43 C1b C 10.4897 -21.6428
44 C2b C 11.7077 -20.9366
45 C2c C 12.9254 -21.6428
46 C1b C 14.1432 -20.9366
47 C1a C 12.9254 -23.0478
48 C1b C 10.4897 -21.6428
49 C2b C 11.7077 -20.9366
50 C2c C 12.9254 -21.6428
51 C1b C 14.1432 -20.9366
52 C1a C 12.9254 -23.0478
53 C1b C 10.4897 -21.6428
54 C2b C 11.7077 -20.9366
55 C2c C 12.9254 -21.6428
56 C1b C 14.1432 -20.9366
57 C1a C 12.9254 -23.0478
BOND 57
1 1 2 1
2 2 3 2
3 3 4 1
4 3 5 1
5 11 12 1
6 11 13 2
7 12 14 1
8 12 15 2
9 13 16 1
10 14 17 2
11 14 18 1
12 16 19 2
13 17 20 1
14 18 21 1
15 16 17 1
16 13 22 1
17 6 7 1
18 7 8 2
19 8 9 1
20 8 10 1
21 9 1 1
22 23 24 1
23 24 25 2
24 25 26 1
25 25 27 1
26 6 26 1
27 28 29 1
28 29 30 2
29 30 31 1
30 30 32 1
31 23 31 1
32 33 34 1
33 34 35 2
34 35 36 1
35 35 37 1
36 28 36 1
37 38 39 1
38 39 40 2
39 40 41 1
40 40 42 1
41 33 41 1
42 43 44 1
43 44 45 2
44 45 46 1
45 45 47 1
46 38 46 1
47 48 49 1
48 49 50 2
49 50 51 1
50 50 52 1
51 43 51 1
52 53 54 1
53 54 55 2
54 55 56 1
55 55 57 1
56 48 56 1
57 11 53 1
BRACKET 1 10.0100 -22.5400 10.0100 -20.4400
1 14.7700 -20.4400 14.7700 -22.5400
1 8
ORIGINAL 1 6 7 8 9 10
REPEAT 1 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38
1 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54
1 55 56 57
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