ATOM 57
1 C1c C 30.5972 -14.8093
2 C7a C 31.8546 -15.5079
3 C1b C 29.4095 -15.5079
4 S4a S 30.5972 -13.4121
5 O7a O 33.0423 -14.8093
6 O6a O 31.8546 -16.9051
7 C7a C 28.2219 -14.8093
8 O1d O 29.2000 -13.4121
9 O1d O 32.1341 -13.4121
10 C1b C 34.2299 -15.5079
11 O7a O 27.0343 -15.5079
12 O6a O 28.2219 -13.4121
13 C1c C 35.4874 -14.8093
14 C1b C 25.7768 -14.8093
15 C1b C 36.6750 -15.5079
16 C1b C 35.4874 -13.4121
17 C1c C 24.5892 -15.5079
18 C1b C 37.8626 -14.8093
19 C1a C 36.6750 -12.7135
20 C1b C 23.4015 -14.8093
21 C1b C 24.5892 -16.9051
22 C1b C 39.0503 -15.5079
23 C1b C 22.1441 -15.5079
24 C1a C 23.4015 -17.6037
25 C1a C 40.3077 -14.8093
26 C1b C 20.9564 -14.8093
27 C1a C 19.7688 -15.5079
28 O1d O 30.5972 -12.0149 #-
29 Z Ca 42.7161 -14.5194 #2+
30 C1c C 30.5972 -14.8093
31 C7a C 31.8546 -15.5079
32 O7a O 33.0423 -14.8093
33 C1b C 34.2299 -15.5079
34 C1c C 35.4874 -14.8093
35 C1b C 36.6750 -15.5079
36 C1b C 37.8626 -14.8093
37 C1b C 39.0503 -15.5079
38 C1a C 40.3077 -14.8093
39 C1b C 35.4874 -13.4121
40 C1a C 36.6750 -12.7135
41 O6a O 31.8546 -16.9051
42 C1b C 29.4095 -15.5079
43 C7a C 28.2219 -14.8093
44 O7a O 27.0343 -15.5079
45 C1b C 25.7768 -14.8093
46 C1c C 24.5892 -15.5079
47 C1b C 23.4015 -14.8093
48 C1b C 22.1441 -15.5079
49 C1b C 20.9564 -14.8093
50 C1a C 19.7688 -15.5079
51 C1b C 24.5892 -16.9051
52 C1a C 23.4015 -17.6037
53 O6a O 28.2219 -13.4121
54 S4a S 30.5972 -13.4121
55 O1d O 29.2000 -13.4121
56 O1d O 32.1341 -13.4121
57 O1d O 30.5972 -12.0149 #-
BOND 54
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 2
8 4 9 2
9 5 10 1
10 7 11 1
11 7 12 2
12 10 13 1
13 11 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 15 18 1
18 16 19 1
19 17 20 1
20 17 21 1
21 18 22 1
22 20 23 1
23 21 24 1
24 22 25 1
25 23 26 1
26 26 27 1
27 4 28 1
28 30 31 1
29 30 42 1
30 30 54 1
31 31 32 1
32 31 41 2
33 42 43 1
34 54 55 2
35 54 56 2
36 32 33 1
37 43 44 1
38 43 53 2
39 33 34 1
40 44 45 1
41 34 35 1
42 34 39 1
43 45 46 1
44 35 36 1
45 39 40 1
46 46 47 1
47 46 51 1
48 36 37 1
49 47 48 1
50 51 52 1
51 37 38 1
52 48 49 1
53 49 50 1
54 54 57 1
BRACKET 1 18.2700 -18.3400 18.2700 -11.0600
1 41.5800 -11.0600 41.5800 -18.3400
1 2
ORIGINAL 1 1 2 5 10 13 15 18 22 25 16 19 6 3 7 11 14
1 17 20 23 26 27 21 24 12 4 8 9 28
REPEAT 1 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45
1 46 47 48 49 50 51 52 53 54 55 56 57
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