ATOM 20
1 C1x C 23.8700 -17.5700
2 C1x C 25.1300 -16.9400
3 C1x C 26.3900 -17.5700
4 C1x C 26.6700 -18.9000
5 C1x C 23.5900 -18.9700
6 N1y N 25.8300 -20.0200
7 C5x C 24.4300 -20.0200
8 O5x O 23.7300 -21.2324
9 C1b C 26.5300 -21.2324
10 C1b C 27.9298 -21.2324
11 C1b C 28.6396 -20.0031
12 C1b C 30.0299 -20.0033
13 C1b C 30.7229 -18.8035
14 C1b C 32.1298 -18.8036
15 C1b C 32.8187 -17.6111
16 C1b C 34.2297 -17.6112
17 C1b C 34.9176 -16.4205
18 C1b C 36.3297 -16.4206
19 C1b C 37.0173 -15.2303
20 C1a C 38.4297 -15.2305
BOND 20
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 7 8 2
9 6 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
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