ATOM 19
1 C8x C 29.0940 -18.0763
2 C8y C 29.0940 -19.4783
3 C8x C 30.3120 -20.1829
4 C8x C 31.5159 -19.4783
5 C8x C 31.5159 -18.0763
6 C8x C 30.3120 -17.3789
7 C8x C 21.8308 -18.0694
8 C8x C 21.8308 -19.4712
9 C8x C 23.0417 -20.1758
10 C8x C 23.0417 -17.3720
11 C8y C 24.2527 -18.0694
12 C8y C 24.2466 -19.4712
13 N5x N 25.4587 -20.1808
14 C8y C 26.6767 -19.4815
15 N5x N 26.6826 -18.0797
16 C8y C 25.4707 -17.3770
17 C1b C 27.8824 -20.1829
18 O2a O 25.4660 -15.9771
19 C1a C 24.2555 -15.2839
BOND 21
1 9 12 1
2 11 10 1
3 10 7 2
4 4 5 2
5 5 6 1
6 6 1 2
7 1 2 1
8 2 3 2
9 11 12 2
10 12 13 1
11 13 14 2
12 14 15 1
13 15 16 2
14 16 11 1
15 3 4 1
16 14 17 1
17 17 2 1
18 7 8 1
19 16 18 1
20 8 9 2
21 18 19 1
|