ATOM 22
1 C2y C 26.8169 -19.0006
2 C2y C 26.8111 -20.3980
3 C1z C 25.6116 -18.3019
4 C5x C 28.0337 -18.3077
5 C1y C 25.6116 -21.1024
6 C5x C 28.0221 -21.1082
7 C1x C 24.3947 -19.0006
8 C2b C 24.9013 -17.0850
9 C1a C 26.7187 -17.0850
10 C2y C 29.2447 -19.0123
11 O5x O 27.9697 -16.9103
12 C1x C 24.3947 -20.3980
13 C2c C 25.6116 -22.5056
14 C2y C 29.2390 -20.4097
15 O5x O 28.0164 -22.5056
16 C2a C 25.5883 -15.8681
17 O2a O 30.4616 -18.3193
18 C1a C 24.4006 -23.2043
19 C2a C 26.8285 -23.1985
20 O2a O 30.4500 -21.1198
21 C1a C 31.6728 -19.0180
22 C1a C 31.6669 -20.4211
BOND 23
1 1 2 2
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 4 11 2
11 5 12 1
12 5 13 1
13 6 14 1
14 6 15 2
15 8 16 2
16 10 17 1
17 13 18 1
18 13 19 2
19 14 20 1
20 17 21 1
21 20 22 1
22 7 12 1
23 10 14 2
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