ATOM 27
1 O1a O 17.0893 -16.4508
2 C1b C 18.3016 -15.7530
3 C1c C 19.5140 -16.4508
4 C1c C 20.7194 -15.7530
5 C1c C 21.9319 -16.4508
6 C1c C 23.1442 -15.7530
7 C6a C 24.3567 -16.4508
8 O6a O 25.5691 -15.7530 #-
9 O1a O 19.5140 -17.8536
10 O1a O 20.7123 -14.3503
11 O1a O 21.9319 -17.8536
12 O1a O 23.1442 -14.3503
13 O6a O 24.3496 -17.8536
14 O6a O 25.5629 -20.9072 #-
15 C6a C 24.3479 -21.6006
16 C1c C 23.1381 -20.8984
17 C1c C 21.9231 -21.5917
18 C1c C 20.7133 -20.8894
19 C1c C 19.5053 -21.5829
20 C1b C 18.2955 -20.8806
21 O1a O 17.0805 -21.5741
22 O1a O 21.9250 -22.9945
23 O1a O 20.7184 -19.4868
24 O1a O 19.5002 -22.9857
25 O1a O 23.1503 -19.4956
26 O6a O 24.3499 -23.0034
27 Z Cu 27.7684 -18.8546 #2+
BOND 24
1 1 2 1
2 7 13 2
3 5 6 1
4 6 7 1
5 2 3 1
6 7 8 1
7 3 9 1 #Down
8 3 4 1
9 4 10 1 #Up
10 5 11 1 #Up
11 4 5 1
12 6 12 1 #Up
13 14 15 1
14 15 16 1
15 16 17 1
16 17 18 1
17 18 19 1
18 19 20 1
19 20 21 1
20 17 22 1 #Up
21 18 23 1 #Up
22 19 24 1 #Down
23 16 25 1 #Up
24 15 26 2
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