ATOM 20
1 C1y C 26.6493 -21.4143
2 C1y C 27.7967 -22.1179
3 C1z C 25.4384 -22.1244
4 C1x C 26.6366 -20.0004
5 C1y C 29.0903 -21.4017
6 C1x C 27.8093 -23.5953
7 C1y C 25.4384 -23.5192
8 C1x C 24.2337 -21.4332
9 C1a C 25.4320 -20.7423
10 C1x C 27.8602 -19.2904
11 C1z C 29.0965 -19.9877
12 C1x C 26.6620 -24.2166
13 C1x C 24.2337 -24.2230
14 C1x C 23.0354 -22.1244
15 C1a C 29.0903 -18.6056
16 C5x C 23.0354 -23.5192
17 O5x O 21.8371 -24.2039
18 C1x C 31.5151 -21.4123
19 C1x C 31.5213 -19.9983
20 C1x C 30.3120 -19.2930
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 11 15 1
15 13 16 1
16 16 17 2
17 7 12 1
18 10 11 1
19 14 16 1
20 5 18 1
21 18 19 1
22 19 20 1
23 11 20 1
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