ATOM 21
1 C1y C 28.0734 -18.9229
2 C2y C 29.4252 -19.2434
3 C8y C 26.9839 -19.7737
4 C1x C 29.2505 -20.1000
5 C1y C 30.0138 -20.4962
6 C2x C 30.2120 -18.1013
7 C8y C 26.9722 -21.1545
8 C8x C 25.7953 -19.1035
9 N1y N 29.4021 -21.7314
10 C1x C 31.3948 -20.6186
11 C1y C 31.5929 -18.2237
12 C1x C 28.0560 -22.0344
13 C8x C 25.7953 -21.8421
14 C8y C 24.6065 -19.7794
15 C1y C 32.1872 -19.4764
16 O1a O 32.3854 -17.0934
17 C8y C 24.6125 -21.1545
18 O2x O 23.2956 -19.3599
19 O1a O 33.5565 -19.5930
20 O2x O 23.3073 -21.5974
21 C1x C 22.4915 -20.4846
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 9 4 1 #Down
9 5 10 1
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 2
14 10 15 1
15 11 16 1 #Down
16 13 17 2
17 14 18 1
18 15 19 1 #Up
19 17 20 1
20 18 21 1
21 5 9 1
22 9 12 1
23 11 15 1
24 14 17 1
25 20 21 1
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