ATOM 21
1 C1b C 28.6655 -22.4716
2 C1b C 29.8759 -21.7645
3 C1b C 27.4551 -21.7712
4 C1b C 31.0863 -22.4647
5 C1b C 26.2380 -22.4783
6 C1b C 32.2967 -21.7576
7 C1b C 25.0345 -21.7781
8 C1b C 33.5071 -22.4580
9 C1b C 23.8241 -22.4852
10 C1b C 34.7175 -21.7509
11 C1b C 22.6137 -21.7848
12 C1b C 35.9210 -22.4511
13 C1b C 21.4033 -22.4919
14 C1b C 37.1314 -21.7439
15 C6a C 20.1929 -21.7917
16 C1b C 38.3418 -22.4444
17 O6a O 18.9825 -22.4988
18 O6a O 20.1929 -20.3908
19 C1b C 39.5591 -21.7372
20 C1b C 40.7695 -22.4377
21 C1a C 41.9799 -21.7303
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 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 19 20 1
20 20 21 1
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