ATOM 23
1 C1y C 20.4206 -15.4746
2 N1b N 20.4206 -14.1618
3 C1x C 19.2952 -16.0843
4 C1x C 21.5459 -16.0843
5 S4a S 21.9679 -13.1771
6 C1x C 19.2952 -17.4440
7 C1x C 21.5459 -17.4440
8 O1d O 22.4837 -14.4431
9 O1d O 23.2809 -12.5206 #-
10 O1d O 21.3583 -11.7704
11 C1x C 20.4206 -18.1006
12 Z Ca 26.0657 -15.0148 #2+
13 C1y C 20.4206 -15.4746
14 N1b N 20.4206 -14.1618
15 S4a S 21.9679 -13.1771
16 O1d O 22.4837 -14.4431
17 O1d O 23.2809 -12.5206 #-
18 O1d O 21.3583 -11.7704
19 C1x C 19.2952 -16.0843
20 C1x C 19.2952 -17.4440
21 C1x C 20.4206 -18.1006
22 C1x C 21.5459 -17.4440
23 C1x C 21.5459 -16.0843
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 2
8 5 9 1
9 5 10 2
10 6 11 1
11 7 11 1
12 13 14 1
13 13 19 1
14 13 23 1
15 14 15 1
16 19 20 1
17 23 22 1
18 15 16 2
19 15 17 1
20 15 18 2
21 20 21 1
22 22 21 1
BRACKET 1 18.6900 -18.4800 18.6900 -11.1300
1 24.0100 -11.1300 24.0100 -18.4800
1 2
ORIGINAL 1 1 2 5 8 9 10 3 6 11 7 4
REPEAT 1 13 14 15 16 17 18 19 20 21 22 23
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