ATOM 20
1 C1x C 23.2046 -20.2134
2 C1x C 23.2046 -21.6177
3 C5x C 24.4319 -22.3233
4 N1x N 25.6447 -21.6177
5 C1y C 25.6447 -20.2134
6 C1x C 24.4319 -19.5147
7 C1y C 26.8604 -19.5173
8 C1x C 28.0699 -20.2167
9 C1y C 28.0718 -17.4081
10 C1x C 26.8615 -18.1129
11 C1y C 29.2255 -18.1147
12 N1y N 29.2871 -19.5142
13 C1x C 30.4958 -20.2179
14 C1x C 31.7131 -19.5289
15 C1y C 31.7216 -18.1294
16 C1x C 30.5128 -17.4188
17 O5x O 24.4184 -23.7065
18 C1b C 28.0599 -16.0215
19 O1a O 29.2595 -15.3229
20 O1a O 32.9080 -17.4259
BOND 22
1 4 5 1
2 5 6 1
3 6 1 1
4 1 2 1
5 2 3 1
6 11 12 1
7 12 13 1
8 13 14 1
9 14 15 1
10 15 16 1
11 16 11 1
12 3 4 1
13 3 17 2
14 7 8 1
15 8 12 1
16 11 9 1
17 9 18 1
18 9 10 1
19 18 19 1
20 10 7 1
21 5 7 1
22 15 20 1
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