ATOM 31
1 C8y C 26.4219 -27.4289
2 C8y C 26.4160 -28.8204
3 C8y C 25.2223 -26.7359
4 O2x O 27.6329 -26.7359
5 C8y C 27.6212 -29.5191
6 C8y C 25.2223 -29.5134
7 C8y C 24.0113 -27.4289
8 C2x C 25.2340 -25.3386
9 C8y C 28.8324 -27.4346
10 C8y C 28.8265 -28.8321
11 O5x O 27.6155 -30.9166
12 C8x C 24.0113 -28.8204
13 O1a O 25.2223 -30.9108
14 O2x O 22.8060 -26.7185
15 C2x C 24.0287 -24.6340
16 C8y C 30.0435 -26.7476
17 C1b C 30.0318 -29.5308
18 C1z C 22.8118 -25.3270
19 C8y C 31.2430 -27.4522
20 C8x C 30.0494 -25.3560
21 C2b C 30.0261 -30.9225
22 C1a C 21.6124 -24.6224
23 C1a C 22.8237 -23.6965
24 C8x C 32.4540 -26.7592
25 O1a O 31.2371 -28.8437
26 C8x C 31.2545 -24.6632
27 C2c C 31.2313 -31.6270
28 C8y C 32.4598 -25.3677
29 C1a C 31.2254 -33.0185
30 C1a C 32.4365 -30.9341
31 O1a O 33.6710 -24.6747
BOND 34
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 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 2
12 6 13 1
13 7 14 1
14 8 15 2
15 9 16 1
16 10 17 1
17 14 18 1
18 16 19 2
19 16 20 1
20 17 21 1
21 18 22 1
22 18 23 1
23 19 24 1
24 19 25 1
25 20 26 2
26 21 27 2
27 24 28 2
28 27 29 1
29 27 30 1
30 28 31 1
31 7 12 1
32 9 10 2
33 15 18 1
34 26 28 1
|