ATOM 20
1 C1y C 20.2406 -16.6312
2 O2x O 19.0726 -17.3030
3 C1y C 21.4030 -17.3087
4 S2a S 20.2232 -15.1770
5 C1y C 19.0726 -18.6520
6 C1y C 21.3971 -18.6579
7 O1a O 22.5593 -16.6429
8 C2c C 20.2348 -13.8397
9 C1y C 20.2348 -19.3237
10 C1b C 17.9104 -19.3412
11 O1a O 22.5535 -19.3354
12 N2b N 21.3913 -13.1563
13 C1a C 19.0667 -13.1622
14 O1a O 20.2232 -20.6670
15 O1a O 16.7306 -18.6813
16 O2a O 22.5476 -12.4788
17 S4a S 23.8090 -13.4191
18 O1d O 24.9013 -12.1926
19 O1d O 22.6878 -14.5871
20 O1d O 25.1174 -14.2426
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 2
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 16 17 1
17 17 18 2
18 17 19 2
19 17 20 1
20 6 9 1
|