ATOM 21
1 C1b C 29.2900 -17.0828
2 C1b C 28.0930 -16.3869
3 C1b C 30.4869 -16.3869
4 C1b C 26.8897 -17.0828
5 C1b C 31.6838 -17.0828
6 C2b C 25.6928 -16.3869
7 C1b C 32.8808 -16.3869
8 C2b C 24.4958 -17.0828
9 C1b C 34.0841 -17.0828
10 C7a C 35.2810 -16.3869
11 O7a O 36.4780 -17.0828
12 O6a O 35.2744 -15.0014
13 C1a C 38.0716 -16.5626
14 C1b C 24.5000 -18.4800
15 C1b C 25.7145 -19.1763
16 C1b C 25.6988 -20.5800
17 C1b C 26.9155 -21.2724
18 C1b C 26.9243 -22.6724
19 C1b C 28.1411 -23.3648
20 C1b C 28.1498 -24.7647
21 C1a C 29.3548 -25.4759
BOND 20
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 2
8 7 9 1
9 9 10 1
10 10 11 1
11 10 12 2
12 11 13 1
13 8 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
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