ATOM 22
1 C8y C 28.8713 -21.2300
2 C8y C 28.8713 -22.6312
3 C8y C 27.6103 -20.5295
4 C8x C 30.0622 -20.5995
5 C8y C 27.5402 -23.3317
6 O7x O 30.0622 -23.3317
7 C8y C 26.3493 -21.1600
8 C8x C 31.2532 -21.2300
9 C8y C 26.3493 -22.5611
10 C8y C 31.2532 -22.6312
11 C8x C 25.0182 -20.8097
12 O2x O 25.0182 -22.9814
13 C8x C 24.1775 -21.8605
14 O6a O 32.4441 -23.3317
15 O2a O 27.6103 -19.1284
16 O2a O 27.5402 -24.7328
17 C1a C 26.3269 -25.4334
18 C1b C 28.8102 -18.4417
19 C2b C 30.0278 -19.1511
20 C2c C 31.2321 -18.4624
21 C1a C 32.4401 -19.1666
22 C1a C 31.2377 -17.0801
BOND 24
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 2
9 6 10 1
10 7 11 1
11 9 12 1
12 11 13 2
13 7 9 1
14 8 10 1
15 12 13 1
16 10 14 2
17 3 15 1
18 5 16 1
19 16 17 1
20 15 18 1
21 18 19 1
22 19 20 2
23 20 21 1
24 20 22 1
|