ATOM 25
1 C1y C 29.0258 -14.8850
2 N1y N 29.0258 -16.2835
3 C2y C 30.2370 -16.9826
4 C2y C 31.4481 -16.2835
5 C1x C 31.4481 -14.8850
6 S2x S 30.2370 -14.1858
7 C1y C 27.6273 -14.8850
8 C5x C 27.6273 -16.2835
9 N1b N 26.4164 -14.1858
10 C5a C 25.2050 -14.8850
11 O5a O 25.2050 -16.2835
12 O5x O 26.4164 -16.9826
13 C1c C 23.9940 -14.1858
14 O2a O 32.6779 -16.9937
15 C6a C 30.2370 -18.3808
16 O6a O 29.0090 -19.0900
17 O6a O 31.4311 -19.0705
18 C2y C 22.7633 -14.8966
19 C1x C 21.5536 -14.1982
20 C2x C 20.3440 -14.8966
21 C2x C 20.3440 -16.2932
22 C1x C 21.5536 -16.9918
23 C2x C 22.7633 -16.2932
24 N1a N 23.9940 -12.7826
25 C1a C 33.8916 -16.2931
BOND 27
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 2 8 1
10 7 9 1 #Up
11 9 10 1
12 10 11 2
13 8 12 2
14 10 13 1
15 4 14 1
16 3 15 1
17 15 16 2
18 15 17 1
19 13 18 1
20 18 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 1
25 18 23 2
26 13 24 1 #Up
27 14 25 1
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