ATOM 21
1 O2x O 27.4679 -22.2479
2 C1z C 28.6760 -21.5480
3 C1y C 28.6760 -20.1482
4 C1y C 27.4679 -19.4482
5 N1y N 27.4696 -18.0484
6 C5x C 28.6068 -17.2202
7 C1x C 28.1760 -15.8882
8 C1x C 26.7761 -15.8865
9 C1x C 26.3418 -17.2173
10 O5x O 29.9381 -17.6529
11 C8y C 26.2527 -21.5480
12 C8y C 26.2527 -20.1482
13 C8x C 25.0403 -19.4482
14 C8y C 23.8280 -20.1482
15 C8x C 23.8280 -21.5480
16 C8x C 25.0403 -22.2479
17 C3b C 22.6158 -19.4482
18 N3a N 21.4140 -18.7271
19 C1a C 29.8887 -22.2471
20 C1a C 29.8795 -20.8410
21 O1a O 29.8887 -19.4491
BOND 23
1 4 12 1
2 6 10 2
3 4 5 1
4 11 1 1
5 1 2 1
6 2 3 1
7 3 4 1
8 11 12 1
9 12 13 2
10 13 14 1
11 14 15 2
12 15 16 1
13 16 11 2
14 5 6 1
15 14 17 1
16 6 7 1
17 17 18 3
18 7 8 1
19 2 19 1
20 8 9 1
21 2 20 1
22 9 5 1
23 3 21 1
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