ATOM 19
1 C1x C 32.7516 -19.2190
2 C1y C 32.3898 -17.8597
3 N1x N 31.5672 -19.9775
4 C1y C 30.9897 -17.8596
5 O1a O 33.3816 -16.8562
6 C1y C 30.4767 -19.0952
7 O7a O 29.9803 -16.7802
8 C1b C 29.2709 -19.7982
9 C8y C 28.0589 -19.1053
10 C8x C 28.0581 -17.7115
11 C8x C 26.8463 -17.0186
12 C8y C 25.6403 -17.7216
13 C8x C 25.6462 -19.1175
14 C8x C 26.8580 -19.8103
15 O2a O 24.4285 -17.0288
16 C1a C 24.4227 -15.6329
17 C7a C 30.3415 -15.4319
18 C1a C 29.3546 -14.4448
19 O6a O 31.6899 -15.0707
BOND 20
1 1 3 1
2 2 4 1
3 2 5 1 #Up
4 3 6 1
5 4 7 1 #Down
6 9 10 2
7 10 11 1
8 11 12 2
9 12 13 1
10 13 14 2
11 14 9 1
12 4 6 1
13 12 15 1
14 15 16 1
15 6 8 1 #Down
16 7 17 1
17 1 2 1
18 17 18 1
19 8 9 1
20 17 19 2
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