ATOM 67
1 O0 O 35.1053 -8.9283
2 O1a O 9.6600 -5.6000
3 C1b C 10.8500 -4.9000
4 C1d C 12.0400 -5.6000
5 C1c C 13.3000 -4.9000
6 C5a C 14.4900 -5.6000
7 N1b N 15.6800 -4.9000
8 C1b C 16.9400 -5.6000
9 C1b C 18.1300 -4.9000
10 C1b C 19.3200 -5.6000
11 C6a C 20.5800 -4.9000
12 O6a O 21.7700 -5.6000 #-
13 C1a C 11.0600 -6.6500
14 C1a C 13.0900 -6.6500
15 O1a O 13.3000 -3.5000
16 O5a O 14.4900 -7.0000
17 O6a O 20.5800 -3.5000
18 Z Ca 22.4000 -7.0700 #2+
19 O1a O 35.5600 -5.5300
20 C1b C 34.3700 -4.8300
21 C1d C 33.1100 -5.5300
22 C1c C 31.9200 -4.8300
23 C5a C 30.7300 -5.5300
24 N1b N 29.4700 -4.8300
25 C1b C 28.2800 -5.5300
26 C1b C 27.0900 -4.8300
27 C1b C 25.9000 -5.5300
28 C6a C 24.6400 -4.8300
29 O6a O 23.4500 -5.5300 #-
30 C1a C 34.1600 -6.5800
31 C1a C 32.1300 -6.5800
32 O1a O 31.9200 -3.4300
33 O5a O 30.7300 -6.9300
34 O6a O 24.6400 -3.4300
35 O1a O 9.6600 -5.6000
36 C1b C 10.8500 -4.9000
37 C1d C 12.0400 -5.6000
38 C1c C 13.3000 -4.9000
39 C5a C 14.4900 -5.6000
40 N1b N 15.6800 -4.9000
41 C1b C 16.9400 -5.6000
42 C1b C 18.1300 -4.9000
43 C1b C 19.3200 -5.6000
44 C6a C 20.5800 -4.9000
45 O6a O 21.7700 -5.6000 #-
46 O6a O 20.5800 -3.5000
47 O5a O 14.4900 -7.0000
48 O1a O 13.3000 -3.5000
49 C1a C 11.0600 -6.6500
50 C1a C 13.0900 -6.6500
51 Z Ca 22.4000 -7.0700 #2+
52 O1a O 35.5600 -5.5300
53 C1b C 34.3700 -4.8300
54 C1d C 33.1100 -5.5300
55 C1c C 31.9200 -4.8300
56 C5a C 30.7300 -5.5300
57 N1b N 29.4700 -4.8300
58 C1b C 28.2800 -5.5300
59 C1b C 27.0900 -4.8300
60 C1b C 25.9000 -5.5300
61 C6a C 24.6400 -4.8300
62 O6a O 23.4500 -5.5300 #-
63 O6a O 24.6400 -3.4300
64 O5a O 30.7300 -6.9300
65 O1a O 31.9200 -3.4300
66 C1a C 34.1600 -6.5800
67 C1a C 32.1300 -6.5800
BOND 60
1 3 4 1
2 8 9 1
3 9 10 1
4 4 5 1
5 10 11 1
6 11 12 1
7 5 6 1
8 4 13 1
9 2 3 1
10 4 14 1
11 6 7 1
12 5 15 1 #Up
13 6 16 2
14 7 8 1
15 11 17 2
16 19 20 1
17 20 21 1
18 21 22 1
19 22 23 1
20 23 24 1
21 24 25 1
22 25 26 1
23 26 27 1
24 27 28 1
25 28 29 1
26 21 30 1
27 21 31 1
28 22 32 1 #Down
29 23 33 2
30 28 34 2
31 36 37 1
32 41 42 1
33 42 43 1
34 37 38 1
35 43 44 1
36 44 45 1
37 38 39 1
38 37 49 1
39 35 36 1
40 37 50 1
41 39 40 1
42 38 48 1 #Up
43 39 47 2
44 40 41 1
45 44 46 2
46 52 53 1
47 53 54 1
48 54 55 1
49 55 56 1
50 56 57 1
51 57 58 1
52 58 59 1
53 59 60 1
54 60 61 1
55 61 62 1
56 54 66 1
57 54 67 1
58 55 65 1 #Down
59 56 64 2
60 61 63 2
BRACKET 1 8.6100 -8.3300 8.6100 -2.8700
1 36.8200 -2.8700 36.8200 -8.3300
1 2
ORIGINAL 1 2 3 4 5 6 7 8 9 10 11 12 17 16 15 13 14
1 18 19 20 21 22 23 24 25 26 27 28 29 34 33 32 30
1 31
REPEAT 1 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
1 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66
1 67
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