ATOM 29
1 C8y C 25.8295 -22.7402
2 C8y C 24.6196 -22.0329
3 C8y C 27.0395 -22.0505
4 C8y C 25.8178 -24.1371
5 C8y C 24.6255 -20.6360
6 C8x C 23.4214 -22.7343
7 C8y C 27.0512 -20.6477
8 C7x C 28.3721 -22.4946
9 C8x C 27.0278 -24.8326
10 C8x C 24.6079 -24.8209
11 C8y C 25.8412 -19.9403
12 C8x C 23.4214 -19.9346
13 C1x C 28.3898 -20.2209
14 O7x O 29.2080 -21.3666
15 O6a O 28.7930 -23.8273
16 C8y C 27.0220 -26.2297
17 C8x C 24.6662 -26.2180
18 C8y C 25.8004 -26.9252
19 O2x O 28.0565 -27.1825
20 O2x O 26.0809 -28.3046
21 C1x C 27.4778 -28.4624
22 C8y C 22.2019 -22.0364
23 C8y C 22.2057 -20.6360
24 O2a O 20.9957 -19.9349
25 O2a O 20.9913 -22.7363
26 C1a C 19.7836 -20.6323
27 C1a C 19.7799 -22.0378
28 O2a O 25.8478 -18.5419
29 C1a C 27.0620 -17.8483
BOND 33
1 3 8 1
2 4 9 2
3 4 10 1
4 5 11 1
5 5 12 1
6 6 22 2
7 7 13 1
8 8 14 1
9 8 15 2
10 9 16 1
11 10 17 2
12 12 23 2
13 16 18 2
14 16 19 1
15 18 20 1
16 19 21 1
17 7 11 2
18 13 14 1
19 17 18 1
20 20 21 1
21 1 2 1
22 22 23 1
23 1 3 2
24 23 24 1
25 1 4 1
26 22 25 1
27 2 5 2
28 24 26 1
29 2 6 1
30 25 27 1
31 11 28 1
32 3 7 1
33 28 29 1
|