ATOM 21
1 C1z C 26.3075 -20.4356
2 C2y C 27.4723 -21.0928
3 C1y C 26.3134 -19.0897
4 C1x C 25.1429 -19.7540
5 N1x N 25.1663 -21.0988
6 C2y C 28.6254 -20.4404
7 C1x C 27.4547 -22.4260
8 C1y C 27.4781 -18.4325
9 C1x C 25.1663 -18.4268
10 C1y C 26.1189 -17.0686
11 C1x C 24.0013 -20.4356
12 C1x C 28.6313 -19.1014
13 N1y N 29.7785 -21.1162
14 C1x C 28.6079 -23.1080
15 C1x C 27.4818 -17.0712
16 C1x C 24.0013 -19.0897
17 C1x C 29.7668 -22.4495
18 C5a C 30.9373 -20.4580
19 C1a C 32.0847 -21.1339
20 O5a O 30.9314 -19.1189
21 C1a C 25.3376 -15.9508
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1 #Up
15 9 16 1
16 13 17 1
17 13 18 1
18 18 19 1
19 18 20 2
20 8 12 1
21 11 16 1
22 14 17 1
23 15 10 1
24 10 21 1 #Down
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