ATOM 59
1 N1y N 0.8542 -4.6792
2 N1y N 0.8448 -6.3288
3 C1x C 1.5614 -5.9205
4 C1x C 1.5661 -5.0957
5 N1y N -0.7875 -6.3250
6 C1x C -0.3792 -7.0375
7 C1x C 0.4420 -7.0401
8 N1y N -0.7875 -4.6750
9 C1x C 0.4466 -3.9677
10 C1x C -0.3746 -3.9651
11 C1x C -1.5000 -5.0875
12 C1x C -1.5000 -5.9125
13 C1b C -1.3674 -4.0882
14 C6a C -2.1958 -4.0875
15 C1b C 1.4332 -4.0915
16 C1b C 1.4181 -6.9220
17 C1b C -1.3692 -6.9100
18 C6a C -2.1958 -6.9083
19 C1c C 2.2417 -6.9208
20 C6a C 2.2542 -4.0875
21 O6a O -2.6089 -4.8016 #-
22 O6a O -2.6078 -3.3727
23 O6a O -2.6069 -6.1930 #-
24 O6a O -2.6098 -7.6220
25 C1a C 2.6552 -7.6347
26 O1a O 2.6531 -6.2058
27 O6a O 2.6702 -4.7999 #-
28 O6a O 2.6632 -3.3710
29 Z Ca -0.2875 -5.4625 #2+
30 Z Ca 5.0875 -5.5875 #2+
31 N1y N 0.8542 -4.6792
32 N1y N 0.8448 -6.3288
33 C1x C 1.5614 -5.9205
34 C1x C 1.5661 -5.0957
35 N1y N -0.7875 -6.3250
36 C1x C -0.3792 -7.0375
37 C1x C 0.4420 -7.0401
38 N1y N -0.7875 -4.6750
39 C1x C 0.4466 -3.9677
40 C1x C -0.3746 -3.9651
41 C1x C -1.5000 -5.0875
42 C1x C -1.5000 -5.9125
43 C1b C -1.3674 -4.0882
44 C6a C -2.1958 -4.0875
45 C1b C 1.4332 -4.0915
46 C1b C 1.4181 -6.9220
47 C1b C -1.3692 -6.9100
48 C6a C -2.1958 -6.9083
49 C1c C 2.2417 -6.9208
50 C6a C 2.2542 -4.0875
51 O6a O -2.6089 -4.8016 #-
52 O6a O -2.6078 -3.3727
53 O6a O -2.6069 -6.1930 #-
54 O6a O -2.6098 -7.6220
55 C1a C 2.6552 -7.6347
56 O1a O 2.6531 -6.2058
57 O6a O 2.6702 -4.7999 #-
58 O6a O 2.6632 -3.3710
59 Z Ca -0.2875 -5.4625 #2+
BOND 56
1 8 13 1
2 5 6 1
3 13 14 1
4 6 7 1
5 1 15 1
6 7 2 1
7 32 33 1
8 33 34 1
9 34 31 1
10 2 16 1
11 2 3 1
12 5 17 1
13 35 36 1
14 36 37 1
15 37 32 1
16 3 4 1
17 17 18 1
18 4 1 1
19 31 39 1
20 39 40 1
21 40 38 1
22 16 19 1
23 1 9 1
24 41 42 1
25 42 35 1
26 38 41 1
27 15 20 1
28 38 43 1
29 9 10 1
30 43 44 1
31 14 21 1
32 31 45 1
33 10 8 1
34 32 46 1
35 14 22 2
36 35 47 1
37 47 48 1
38 18 23 1
39 46 49 1
40 45 50 1
41 18 24 2
42 44 51 1
43 11 12 1
44 44 52 2
45 19 25 1
46 48 53 1
47 12 5 1
48 48 54 2
49 19 26 1
50 49 55 1
51 8 11 1
52 49 56 1
53 20 27 1
54 50 57 1
55 50 58 2
56 20 28 2
BRACKET 1 -3.0800 -8.3600 -3.0800 -2.8800
1 3.5900 -2.8800 3.5900 -8.3600
1 2
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
1 17 18 19 20 21 22 23 24 25 26 27 28 29
REPEAT 1 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46
1 47 48 49 50 51 52 53 54 55 56 57 58 59
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