ATOM 13
1 S4a S 22.6800 -16.9400
2 O1d O 22.6800 -15.5400
3 O1d O 22.6800 -18.3400
4 O1d O 24.0800 -16.9400 #-
5 O1d O 21.2800 -16.9400 #-
6 Z Ca 25.9000 -16.8700 #2+
7 O0 O 30.8000 -17.3600
8 S4a S 22.6800 -16.9400
9 O1d O 22.6800 -18.3400
10 O1d O 24.0800 -16.9400 #-
11 O1d O 21.2800 -16.9400 #-
12 O1d O 22.6800 -15.5400
13 Z Ca 25.9000 -16.8700 #2+
BOND 8
1 1 3 2
2 1 4 1
3 1 5 1
4 1 2 2
5 8 9 2
6 8 10 1
7 8 11 1
8 8 12 2
BRACKET 1 20.4400 -19.3200 20.4400 -14.4200
1 27.8600 -14.4200 27.8600 -19.3200
1 2
ORIGINAL 1 1 3 4 5 2 6
REPEAT 1 8 9 10 11 12 13
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