ATOM 20
1 C1y C 32.2728 -17.0451
2 C1x C 33.4177 -16.2216
3 C2x C 32.6993 -18.3711
4 C1b C 31.0463 -16.3327
5 C1x C 34.5625 -17.0685
6 C2x C 34.0893 -18.3127
7 C1b C 29.8373 -17.0394
8 C1b C 28.6166 -16.3502
9 C1b C 27.4251 -17.0628
10 C1b C 26.2161 -16.3735
11 C1b C 25.0128 -17.0919
12 C1b C 23.7863 -16.4144
13 C1b C 22.5889 -17.1270
14 C1b C 21.3682 -16.4554
15 C1b C 20.1709 -17.1913
16 C1b C 18.9561 -16.5195
17 C1b C 17.7528 -17.2555
18 C6a C 16.5380 -16.5897
19 O6a O 15.3347 -17.3139
20 O6a O 16.5029 -15.1879
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 2
6 4 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 18 20 2
20 5 6 1
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