ATOM 20
1 C1b C 23.6657 -24.0434
2 C1b C 24.8755 -24.7470
3 C1b C 22.4558 -24.7470
4 C2b C 26.0914 -24.0434
5 C1b C 21.2399 -24.0434
6 C2b C 27.4927 -24.0434
7 C1b C 20.0363 -24.7470
8 C1b C 28.7025 -24.7470
9 C1b C 18.8264 -24.0434
10 C1b C 29.9122 -24.0434
11 C1b C 17.6168 -24.7470
12 C1b C 31.1281 -24.7470
13 C5a C 16.4069 -24.0434
14 C1b C 32.3317 -24.0434
15 N1a N 15.1970 -24.7470
16 O5a O 16.4069 -22.6421
17 C1b C 33.5416 -24.7470
18 C1b C 34.7516 -24.0434
19 C1b C 35.9612 -24.7470
20 C1a C 37.1711 -24.0434
BOND 19
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 2
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 13 16 2
16 14 17 1
17 17 18 1
18 18 19 1
19 19 20 1
|