ATOM 22
1 C1y C 26.9101 -20.3010
2 C1x C 27.3460 -18.9698
3 N1x N 26.2099 -18.1437
4 C1y C 25.0739 -18.9698
5 C1y C 25.5097 -20.3010
6 C1b C 24.6878 -21.4347
7 C2c C 27.7306 -21.4358
8 C1a C 27.0448 -22.6569
9 C2b C 29.1309 -21.4190
10 C2b C 29.6138 -20.0936
11 C2b C 30.9931 -20.0611
12 C1c C 31.4725 -18.5354
13 C6a C 32.8519 -18.2927
14 O6a O 33.3314 -16.9770
15 O6a O 33.7515 -19.3658
16 C1a C 30.5729 -17.4622
17 C6a C 23.8476 -18.2700
18 O6a O 22.6351 -18.9700
19 O6a O 23.8440 -16.8702
20 C6a C 23.2878 -21.4347
21 O6a O 22.5871 -20.2211
22 O6a O 22.5999 -22.6266
BOND 22
1 5 6 1 #Down
2 1 2 1
3 7 8 1
4 1 7 1 #Down
5 7 9 2
6 2 3 1
7 9 10 1
8 10 11 2
9 3 4 1
10 11 12 1
11 12 13 1
12 4 5 1
13 13 14 2
14 13 15 1
15 5 1 1
16 12 16 1 #Up
17 4 17 1 #Up
18 17 18 1
19 17 19 2
20 6 20 1
21 20 21 2
22 20 22 1
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