ATOM 20
1 C8x C 21.9830 -17.0375
2 C8x C 21.9830 -18.4381
3 C8x C 23.1959 -19.1384
4 C8y C 24.4088 -18.4381
5 C8y C 24.4088 -17.0375
6 C8x C 23.1959 -16.3372
7 C8y C 25.7409 -18.8709
8 C8y C 26.5642 -17.7378
9 N4x N 25.7409 -16.6048
10 C8x C 26.3107 -20.1505
11 C8y C 27.7036 -20.2968
12 N5x N 28.5268 -19.1638
13 C8x C 27.9572 -17.8842
14 C7a C 28.2799 -21.5918
15 O7a O 29.6806 -21.7392
16 O6a O 27.4484 -22.7357
17 C1b C 30.4995 -20.6125
18 C1b C 31.8749 -20.7575
19 C1b C 32.6935 -19.6320
20 C1a C 34.0693 -19.7773
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 7 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 8 13 2
16 11 14 1
17 14 15 1
18 14 16 2
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
|