ATOM 21
1 C2y C 28.2931 -19.8847
2 N1x N 27.9290 -21.2322
3 C5x C 29.0983 -21.9998
4 C1z C 30.1877 -21.1222
5 N2x N 29.6874 -19.8867
6 C8y C 24.6623 -17.7831
7 C8x C 24.6623 -19.1863
8 C8x C 25.8743 -19.8844
9 C8y C 27.0864 -19.1863
10 C8y C 27.0864 -17.7831
11 C8x C 25.8743 -17.0779
12 C7a C 28.2936 -17.0850
13 O7a O 29.5065 -17.7902
14 O6a O 28.2867 -15.6817
15 C1a C 30.7194 -17.0779
16 C1c C 31.3892 -21.8234
17 C1a C 32.6021 -21.1183
18 C1a C 31.3821 -23.2267
19 C1a C 31.1706 -20.1171
20 O5x O 29.0906 -23.4029
21 C1a C 23.4521 -17.0870
BOND 22
1 10 11 2
2 11 6 1
3 10 12 1
4 1 2 1
5 12 13 1
6 2 3 1
7 12 14 2
8 3 4 1
9 13 15 1
10 9 1 1
11 4 5 1
12 4 16 1
13 5 1 2
14 16 17 1
15 6 7 2
16 16 18 1
17 7 8 1
18 4 19 1
19 8 9 2
20 3 20 2
21 9 10 1
22 6 21 1
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