ATOM 21
1 C1z C 25.4657 -20.2520
2 C8y C 25.4366 -18.9434
3 C1y C 26.5654 -20.9147
4 C1y C 24.2966 -20.8978
5 C1x C 26.5654 -19.5838
6 C8y C 24.2966 -18.2920
7 C8y C 26.5710 -18.2920
8 C1y C 27.7054 -20.2633
9 C2x C 26.5597 -22.2231
10 O2x O 22.9936 -19.5052
11 C1y C 24.2908 -22.2064
12 C1x C 28.8809 -19.6296
13 C8y C 24.2966 -16.9724
14 C1x C 27.7110 -18.9491
15 C8x C 26.5710 -16.9724
16 N1x N 28.8457 -20.9260
17 C2x C 25.4196 -22.8691
18 O1a O 23.1453 -22.8634
19 C8x C 25.4422 -16.3151
20 O2a O 23.1565 -16.3151
21 C1a C 22.0165 -16.9724
BOND 25
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 1
9 4 10 1 #Down
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 2
17 11 18 1 #Down
18 13 19 2
19 13 20 1
20 20 21 1
21 6 10 1
22 8 14 1
23 11 17 1
24 12 16 1
25 15 19 1
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