ATOM 22
1 C8y C 27.7617 -18.6673
2 C8y C 28.9822 -19.3695
3 C8x C 28.9795 -20.7773
4 C8x C 27.7623 -21.4799
5 C8x C 26.5479 -20.7746
6 C8x C 26.5445 -19.3700
7 O2b O 27.7641 -17.2656
8 P1a P 26.5533 -16.5664
9 O2b O 26.5559 -15.1643
10 N1b N 25.3434 -17.2749
11 C7a C 30.1896 -18.6704
12 O7a O 31.3945 -19.3730
13 O6a O 30.1921 -17.2685
14 C1c C 24.1326 -16.5757
15 C1a C 24.1324 -15.1835
16 C1a C 22.9227 -17.2844
17 C1b C 27.7631 -14.4654
18 C1a C 28.9680 -15.1682
19 S0 S 26.4965 -17.9671
20 C1c C 32.6056 -18.6807
21 C1a C 33.8108 -19.3837
22 C1a C 32.6117 -17.2858
BOND 22
1 11 12 1
2 6 1 1
3 11 13 2
4 1 7 1
5 1 2 2
6 7 8 1
7 10 14 1
8 2 3 1
9 14 15 1
10 8 9 1
11 14 16 1
12 3 4 2
13 9 17 1
14 8 10 1
15 17 18 1
16 4 5 1
17 8 19 2
18 12 20 1
19 2 11 1
20 20 21 1
21 5 6 2
22 20 22 1
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