ATOM 72
1 N1a N 18.7600 -18.3400
2 C5a C 19.9724 -17.6400
3 C1b C 21.1849 -18.3400
4 C1b C 22.3973 -17.6400
5 C1c C 23.6097 -18.3400
6 O5a O 19.9724 -16.2402
7 C6a C 23.6097 -19.7399
8 O6a O 22.3825 -20.4485
9 O6a O 24.8074 -20.4314 #-
10 N1b N 24.8222 -17.6400
11 C5a C 26.0346 -18.3400
12 C1a C 27.2470 -17.6400
13 O5a O 26.0346 -19.7400
14 Z Al 34.3451 -18.3388 #3+
15 Z Al 37.4345 -18.3239 #3+
16 Z Al 31.2900 -18.3400 #3+
17 O0 O 32.9700 -20.3700 #-
18 O0 O 36.2600 -20.3700 #-
19 O0 O 32.9700 -15.9600 #-
20 O0 O 36.2600 -15.9600 #-
21 N1a N 18.7600 -18.3400
22 C5a C 19.9724 -17.6400
23 C1b C 21.1849 -18.3400
24 C1b C 22.3973 -17.6400
25 C1c C 23.6097 -18.3400
26 C6a C 23.6097 -19.7399
27 O6a O 22.3825 -20.4485
28 O6a O 24.8074 -20.4314 #-
29 N1b N 24.8222 -17.6400
30 C5a C 26.0346 -18.3400
31 C1a C 27.2470 -17.6400
32 O5a O 26.0346 -19.7400
33 O5a O 19.9724 -16.2402
34 N1a N 18.7600 -18.3400
35 C5a C 19.9724 -17.6400
36 C1b C 21.1849 -18.3400
37 C1b C 22.3973 -17.6400
38 C1c C 23.6097 -18.3400
39 C6a C 23.6097 -19.7399
40 O6a O 22.3825 -20.4485
41 O6a O 24.8074 -20.4314 #-
42 N1b N 24.8222 -17.6400
43 C5a C 26.0346 -18.3400
44 C1a C 27.2470 -17.6400
45 O5a O 26.0346 -19.7400
46 O5a O 19.9724 -16.2402
47 N1a N 18.7600 -18.3400
48 C5a C 19.9724 -17.6400
49 C1b C 21.1849 -18.3400
50 C1b C 22.3973 -17.6400
51 C1c C 23.6097 -18.3400
52 C6a C 23.6097 -19.7399
53 O6a O 22.3825 -20.4485
54 O6a O 24.8074 -20.4314 #-
55 N1b N 24.8222 -17.6400
56 C5a C 26.0346 -18.3400
57 C1a C 27.2470 -17.6400
58 O5a O 26.0346 -19.7400
59 O5a O 19.9724 -16.2402
60 N1a N 18.7600 -18.3400
61 C5a C 19.9724 -17.6400
62 C1b C 21.1849 -18.3400
63 C1b C 22.3973 -17.6400
64 C1c C 23.6097 -18.3400
65 C6a C 23.6097 -19.7399
66 O6a O 22.3825 -20.4485
67 O6a O 24.8074 -20.4314 #-
68 N1b N 24.8222 -17.6400
69 C5a C 26.0346 -18.3400
70 C1a C 27.2470 -17.6400
71 O5a O 26.0346 -19.7400
72 O5a O 19.9724 -16.2402
BOND 60
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 2 6 2
6 5 7 1
7 7 8 2
8 7 9 1
9 10 11 1
10 11 12 1
11 11 13 2
12 5 10 1 #Down
13 21 22 1
14 22 23 1
15 23 24 1
16 24 25 1
17 22 33 2
18 25 26 1
19 26 27 2
20 26 28 1
21 29 30 1
22 30 31 1
23 30 32 2
24 25 29 1 #Down
25 34 35 1
26 35 36 1
27 36 37 1
28 37 38 1
29 35 46 2
30 38 39 1
31 39 40 2
32 39 41 1
33 42 43 1
34 43 44 1
35 43 45 2
36 38 42 1 #Down
37 47 48 1
38 48 49 1
39 49 50 1
40 50 51 1
41 48 59 2
42 51 52 1
43 52 53 2
44 52 54 1
45 55 56 1
46 56 57 1
47 56 58 2
48 51 55 1 #Down
49 60 61 1
50 61 62 1
51 62 63 1
52 63 64 1
53 61 72 2
54 64 65 1
55 65 66 2
56 65 67 1
57 68 69 1
58 69 70 1
59 69 71 2
60 64 68 1 #Down
BRACKET 1 16.6600 -21.3500 16.6600 -15.5400
1 28.9800 -15.5400 28.9800 -21.3500
1 5
ORIGINAL 1 1 2 3 4 5 7 8 9 10 11 12 13 6
REPEAT 1 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36
1 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52
1 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68
1 69 70 71 72
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