ATOM 23
1 C8y C 24.3600 -21.3500
2 C8x C 24.3600 -22.7500
3 C8y C 25.5724 -23.4500
4 C8x C 26.7849 -22.7500
5 C8y C 26.7849 -21.3500
6 C8y C 25.5724 -20.6500
7 O1a O 25.5724 -19.2502
8 C1b C 28.0160 -20.6390
9 C2b C 29.2212 -21.3347
10 C2c C 30.4035 -20.6519
11 C1b C 31.5975 -21.3412
12 C1a C 30.4035 -19.2502
13 O1a O 32.7854 -20.6552
14 C1b C 23.1476 -20.6500
15 C2b C 21.9521 -21.3404
16 C2c C 20.7647 -20.6549
17 C1a C 19.5735 -21.3429
18 C1a C 20.7645 -19.2502
19 C2b C 25.5724 -24.8498
20 C2b C 24.3432 -25.5596
21 C6a C 24.3432 -26.9596
22 O6a O 23.1475 -27.6499
23 O6a O 25.5639 -27.6645
BOND 23
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 6 7 1
8 5 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 10 12 1
13 11 13 1
14 1 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 16 18 1
19 3 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 21 23 1
|