ATOM 22
1 C1y C 19.3465 -15.0095
2 C1y C 17.9436 -15.0095
3 C1y C 17.5102 -16.3437
4 O2x O 18.6451 -17.1683
5 C1y C 19.7800 -16.3437
6 C8y C 21.1022 -16.7734
7 C8y C 16.1879 -16.7734
8 C8x C 21.3917 -18.1352
9 C8x C 22.7259 -18.5687
10 C8y C 23.7685 -17.6301
11 C8x C 23.4790 -16.2682
12 C8x C 22.1449 -15.8346
13 C8x C 15.1414 -15.8312
14 C8y C 13.8072 -16.2647
15 C8y C 13.5156 -17.6370
16 C8x C 14.5621 -18.5791
17 C8x C 15.8962 -18.1455
18 C1a C 17.1191 -13.8746
19 C1a C 20.1711 -13.8746
20 O1a O 25.0923 -18.0601
21 O1a O 12.1993 -18.0644
22 O1a O 12.7449 -15.3084
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1 #Down
7 3 7 1 #Up
8 6 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 6 12 1
14 7 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 7 17 1
20 2 18 1 #Up
21 1 19 1 #Up
22 10 20 1
23 15 21 1
24 14 22 1
| 
