ATOM 21
1 C8x C 25.6217 -17.4488
2 C8x C 24.4062 -18.1412
3 C8x C 24.3984 -19.5399
4 C8y C 25.6057 -20.2463
5 C8y C 26.8290 -18.1550
6 C8y C 26.8195 -19.5505
7 N5x N 28.0232 -20.2565
8 N5x N 28.0423 -17.4656
9 C8y C 29.2460 -18.1716
10 C8y C 29.2334 -19.5649
11 C8x C 30.4337 -20.2724
12 C8x C 31.6466 -19.5867
13 C8x C 31.6593 -18.1935
14 C8y C 30.4590 -17.4859
15 C1c C 30.4718 -16.0761
16 O1a O 31.6991 -15.3820
17 C1a C 29.2572 -15.3600
18 C7a C 25.5994 -21.6563
19 O6a O 24.3751 -22.3558
20 O7a O 26.8174 -22.3667
21 C1a C 26.8113 -23.7767
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 6 1
5 5 1 1
6 5 6 1
7 6 7 2
8 7 10 1
9 9 8 1
10 8 5 2
11 9 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 9 1
17 14 15 1
18 15 16 1
19 15 17 1
20 4 18 1
21 18 19 2
22 18 20 1
23 20 21 1
|