ATOM 20
1 C1y C 24.8983 -15.0594
2 C1y C 25.7539 -16.1750
3 C2y C 25.2371 -13.6992
4 C2y C 23.5151 -15.1557
5 C1y C 27.1666 -16.1946
6 O7x O 25.2998 -17.5098
7 C5x C 24.0476 -12.9648
8 C2y C 26.5159 -13.1072
9 C2x C 22.9815 -13.8727
10 C1b C 22.7807 -16.3452
11 C2y C 27.5837 -17.5410
12 C1y C 28.0580 -15.1055
13 C7x C 26.4333 -18.3536
14 O5x O 23.9415 -11.5754
15 C1x C 27.7698 -13.7308
16 C1a C 26.5309 -11.7125
17 O1a O 21.3887 -16.3042
18 C2a C 28.9006 -17.9907
19 O1a O 29.4116 -15.4331
20 O6a O 26.4801 -19.7502
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 2
14 8 15 1
15 8 16 1
16 10 17 1
17 11 18 2
18 12 19 1 #Down
19 13 20 2
20 7 9 1
21 11 13 1
22 12 15 1
|