ATOM 19
1 C1y C 34.8546 -22.3883
2 C1y C 33.6458 -23.0819
3 C1y C 34.8546 -21.0012
4 N1b N 36.4770 -23.1136
5 C1y C 32.4496 -22.3883
6 O1a O 33.6458 -24.4626
7 O2x O 33.6458 -20.3078
8 O1a O 36.0573 -20.3078
9 C5a C 37.6733 -22.4202
10 C1y C 32.4496 -21.0012
11 O2a O 31.2596 -23.0819
12 C1a C 38.8695 -23.1136
13 O5a O 37.6670 -21.0332
14 C1b C 31.2596 -20.3141
15 O1a O 30.0629 -20.2915
16 S4a S 29.8543 -23.0819
17 O1d O 29.8543 -21.6766
18 O1d O 28.4490 -23.0819
19 O1d O 29.8543 -24.4872
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Either
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 9 12 1
12 9 13 2
13 10 14 1 #Up
14 14 15 1
15 7 10 1
16 11 16 1
17 16 17 1
18 16 18 2
19 16 19 2
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