ATOM 21
1 C1d C 30.7946 -18.0345
2 C1a C 31.4920 -19.2459
3 N5y N 26.0268 -19.4361 #+
4 C8y C 26.0268 -16.6327
5 C8y C 24.8161 -17.3371
6 C8y C 24.8221 -18.7387
7 C8x C 23.6102 -19.4413
8 C8x C 22.3924 -18.7490
9 C8y C 22.3865 -17.3475
10 C8x C 23.5982 -16.6380
11 C8y C 27.2375 -18.7387
12 C8y C 27.2384 -17.3439
13 C1x C 28.5656 -16.9088
14 C1y C 29.3875 -18.0392
15 O2x O 28.5640 -19.1684
16 C1a C 26.0401 -20.8378
17 O2a O 26.0330 -15.2381
18 C1a C 24.8215 -14.5407
19 C1a C 31.4989 -16.8158
20 O1a O 32.1962 -18.0274
21 O1a O 21.1800 -16.6327
BOND 23
1 1 2 1
2 11 3 2
3 3 6 1
4 5 4 1
5 11 12 1
6 12 13 1
7 13 14 1
8 14 15 1
9 15 11 1
10 14 1 1 #Down
11 4 12 2
12 5 6 2
13 3 16 1
14 6 7 1
15 4 17 1
16 7 8 2
17 17 18 1
18 8 9 1
19 1 19 1
20 9 10 2
21 1 20 1
22 10 5 1
23 9 21 1
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