ATOM 28
1 C1c C 18.2596 -16.6908
2 C1c C 17.0583 -15.9967
3 C1c C 19.4725 -15.9967
4 O1a O 18.2596 -18.0962
5 C1c C 15.8451 -16.6908
6 O1a O 17.0583 -14.5913
7 C6a C 20.6857 -16.6908
8 O1a O 19.4725 -14.5913
9 C1b C 14.6322 -15.9967
10 O1a O 15.8451 -18.0962
11 O6a O 21.8986 -15.9967 #-
12 O6a O 20.6857 -18.0962
13 O1a O 13.4190 -16.6908
14 Z Mn 8.8879 -16.1660 #2+
15 O0 O 27.0103 -16.5858
16 C1c C 18.2596 -16.6908
17 C1c C 17.0583 -15.9967
18 C1c C 15.8451 -16.6908
19 C1b C 14.6322 -15.9967
20 O1a O 13.4190 -16.6908
21 O1a O 15.8451 -18.0962
22 O1a O 17.0583 -14.5913
23 C1c C 19.4725 -15.9967
24 C6a C 20.6857 -16.6908
25 O6a O 21.8986 -15.9967 #-
26 O6a O 20.6857 -18.0962
27 O1a O 19.4725 -14.5913
28 O1a O 18.2596 -18.0962
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Up
8 5 9 1
9 5 10 1 #Down
10 7 11 1
11 7 12 2
12 9 13 1
13 16 17 1
14 16 23 1
15 16 28 1 #Up
16 17 18 1
17 17 22 1 #Up
18 23 24 1
19 23 27 1 #Up
20 18 19 1
21 18 21 1 #Down
22 24 25 1
23 24 26 2
24 19 20 1
BRACKET 1 12.1100 -18.9700 12.1100 -13.4400
1 23.1000 -13.4400 23.1000 -18.9700
1 2
ORIGINAL 1 1 2 5 9 13 10 6 3 7 11 12 8 4
REPEAT 1 16 17 18 19 20 21 22 23 24 25 26 27 28
2 24.8500 -17.3600 24.8500 -15.7500
2 27.6500 -15.7500 27.6500 -17.3600
2 x
ORIGINAL 2 15
REPEAT 2
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