ATOM 22
1 C1z C 25.8736 -21.2552
2 C8y C 25.8736 -19.9387
3 C2y C 27.0142 -21.9193
4 C1y C 24.7329 -21.9022
5 C1x C 27.0142 -20.5800
6 C8y C 24.7272 -19.2804
7 C8y C 27.0198 -19.2804
8 C1y C 28.1604 -21.2666
9 C2x C 27.0084 -23.2358
10 O2x O 23.4277 -20.6027
11 C5x C 24.7216 -23.2189
12 C1x C 29.2955 -20.6027
13 C8y C 24.7272 -17.9582
14 C1x C 28.1662 -19.9444
15 C8x C 27.0198 -17.9582
16 N1y N 29.3068 -21.9306
17 C1x C 25.8565 -23.8883
18 O5x O 23.5411 -23.8827
19 C8x C 25.8792 -17.2942
20 O2a O 23.5865 -17.2942
21 C1a C 30.5780 -21.5844
22 C1a C 22.4346 -17.9525
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 1
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 1
17 11 18 2
18 13 19 2
19 13 20 1
20 16 21 1
21 20 22 1
22 6 10 1
23 8 14 1
24 11 17 1
25 12 16 1
26 15 19 1
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