ATOM 21
1 C8y C 28.8494 -18.0925
2 C1b C 27.6613 -18.7682
3 C8x C 28.8494 -16.7122
4 C8x C 30.0317 -18.7857
5 C1c C 26.4963 -18.0809
6 C8x C 30.0317 -16.0307
7 C8x C 31.2258 -18.0925
8 N1b N 26.5022 -16.2979
9 C5a C 25.3082 -18.7565
10 C8y C 31.2258 -16.7122
11 C5a C 25.3198 -15.6107
12 N1b N 24.1316 -18.0692
13 O5a O 25.3723 -20.1194
14 O2b O 32.4024 -16.0307
15 O5a O 24.2075 -16.2163
16 R R 25.3256 -14.2536
17 P1b P 33.5788 -15.3317
18 O1c O 34.7555 -14.6444
19 O1c O 32.7226 -13.8291
20 O1c O 34.5224 -16.7122
21 R R 22.9161 -18.7538
BOND 21
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 1 #Up
8 5 9 1
9 6 10 1
10 8 11 1
11 9 12 1
12 9 13 2
13 10 14 1
14 11 15 2
15 11 16 1
16 14 17 1
17 17 18 1
18 17 19 1
19 17 20 2
20 7 10 2
21 12 21 1
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