ATOM 21
1 C1y C 31.2818 -16.3742
2 N1y N 31.3169 -17.7503
3 C5a C 30.0564 -15.6599
4 C1x C 32.5125 -15.6773
5 C1x C 32.4953 -18.5168
6 C1b C 30.0505 -18.4761
7 N1b N 28.8371 -16.3742
8 O5a O 30.0448 -14.5856
9 C1x C 33.7378 -16.3916
10 C1x C 33.7319 -17.8084
11 C8y C 27.6060 -15.5262
12 C8y C 26.3809 -16.2405
13 C8y C 27.6060 -14.1095
14 C8x C 25.1499 -15.5262
15 C1a C 26.3923 -17.5586
16 C8x C 26.3809 -13.4010
17 C1a C 28.8255 -13.4010
18 C8y C 25.1499 -14.1095
19 C1b C 30.0565 -19.8658
20 C1a C 28.8638 -20.5613
21 O1a O 23.9279 -13.4025
BOND 22
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 7 11 1
11 11 12 2
12 11 13 1
13 12 14 1
14 12 15 1
15 13 16 2
16 13 17 1
17 14 18 2
18 9 10 1
19 16 18 1
20 6 19 1
21 19 20 1
22 18 21 1
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