ATOM 31
1 S4a S 23.5200 -16.3800
2 O1d O 23.5200 -14.9800
3 O1d O 23.5200 -17.7800
4 O1d O 24.9200 -16.3800 #-
5 O1d O 22.1200 -16.3800 #-
6 Z Fe 8.3300 -16.5900 #3+
7 O0 O 16.1700 -16.3800 #-
8 S4a S 23.5200 -16.3800
9 O1d O 23.5200 -14.9800
10 O1d O 23.5200 -17.7800
11 O1d O 24.9200 -16.3800 #-
12 O1d O 22.1200 -16.3800 #-
13 S4a S 23.5200 -16.3800
14 O1d O 23.5200 -14.9800
15 O1d O 23.5200 -17.7800
16 O1d O 24.9200 -16.3800 #-
17 O1d O 22.1200 -16.3800 #-
18 S4a S 23.5200 -16.3800
19 O1d O 23.5200 -14.9800
20 O1d O 23.5200 -17.7800
21 O1d O 24.9200 -16.3800 #-
22 O1d O 22.1200 -16.3800 #-
23 S4a S 23.5200 -16.3800
24 O1d O 23.5200 -14.9800
25 O1d O 23.5200 -17.7800
26 O1d O 24.9200 -16.3800 #-
27 O1d O 22.1200 -16.3800 #-
28 Z Fe 8.3300 -16.5900 #3+
29 Z Fe 8.3300 -16.5900 #3+
30 Z Fe 8.3300 -16.5900 #3+
31 O0 O 16.1700 -16.3800 #-
BOND 20
1 1 2 2
2 1 3 2
3 1 4 1
4 1 5 1
5 8 9 2
6 8 10 2
7 8 11 1
8 8 12 1
9 13 14 2
10 13 15 2
11 13 16 1
12 13 17 1
13 18 19 2
14 18 20 2
15 18 21 1
16 18 22 1
17 23 24 2
18 23 25 2
19 23 26 1
20 23 27 1
BRACKET 1 21.3500 -18.3400 21.3500 -14.1400
1 25.9000 -14.1400 25.9000 -18.3400
1 5
ORIGINAL 1 1 2 3 4 5
REPEAT 1 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23
1 24 25 26 27
2 7.7000 -17.2900 7.7000 -15.5400
2 10.3600 -15.5400 10.3600 -17.2900
2 4
ORIGINAL 2 6
REPEAT 2 28 29 30
3 14.8400 -17.1500 14.8400 -15.4700
3 17.2900 -15.4700 17.2900 -17.1500
3 2
ORIGINAL 3 7
REPEAT 3 31
| 
