ATOM 13
1 N1b N 21.7416 -14.8175
2 C1z C 22.9521 -15.5165
3 C5x C 22.9521 -16.9138
4 N1y N 24.3497 -16.9138
5 C1y C 24.3497 -15.5165
6 O5x O 21.9791 -17.8874
7 S4a S 25.3248 -17.8886
8 O1a O 22.9521 -14.1228
9 Z R# 19.6870 -14.8388
10 O1d O 26.3783 -18.8726
11 O1d O 26.3783 -16.7656
12 O1d O 24.3409 -18.9421
13 Z R# 25.3341 -14.5323
BOND 13
1 2 1 1 #Up
2 2 3 1
3 3 4 1
4 4 5 1
5 2 5 1
6 3 6 2
7 4 7 1
8 2 8 1 #Down
9 1 9 1
10 7 10 1
11 7 11 2
12 7 12 2
13 5 13 1 #Up
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