ATOM 22
1 C1x C 10.9841 -11.8216
2 C1x C 10.9841 -13.2200
3 C1x C 12.1951 -13.9192
4 C2y C 13.4062 -13.2200
5 C2y C 13.4062 -11.8216
6 C1z C 12.1951 -11.1224
7 C2b C 14.6422 -11.1224
8 C2b C 15.8533 -11.8216
9 C2c C 17.0644 -11.1224
10 C2b C 18.2753 -11.8216
11 C1a C 14.6358 -13.9302
12 C1a C 12.8943 -9.9114
13 C1a C 11.4959 -9.9114
14 C1a C 17.0644 -9.7240
15 O2a O 18.2607 -13.2200
16 C2x C 19.9500 -15.4000
17 C2y C 21.3500 -15.4000
18 C7x C 21.7826 -14.0685
19 O7x O 20.6500 -13.2456
20 C1y C 19.5174 -14.0685
21 O6a O 23.1022 -13.6397
22 C1a C 22.1729 -16.5326
BOND 23
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 4 11 1
12 6 12 1
13 6 13 1
14 9 14 1
15 10 15 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 16 20 1
21 15 20 1
22 18 21 2
23 17 22 1
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