ATOM 25
1 C8y C 30.9647 -18.1580
2 C8y C 32.1838 -18.8518
3 O2x O 29.8277 -18.9918
4 C8x C 30.5275 -16.8285
5 C8x C 32.1769 -20.2499
6 C8x C 33.3957 -18.1517
7 C8y C 28.6907 -18.1580
8 N5x N 29.1222 -16.8285
9 C8x C 33.3893 -20.9500
10 C8x C 34.6004 -18.8498
11 C2b C 27.4779 -18.8636
12 C8y C 34.6011 -20.2499
13 C2b C 26.2650 -18.1697
14 O2a O 35.8108 -20.9451
15 C8y C 25.0579 -18.8577
16 C8x C 23.8568 -18.1580
17 C8x C 25.0579 -20.2572
18 C8y C 22.6381 -18.8577
19 C8x C 23.8568 -20.9629
20 C8y C 22.6381 -20.2572
21 O2a O 21.4253 -18.1580
22 O2a O 21.4253 -20.9629
23 C1a C 20.2124 -18.8520
24 C1a C 20.2124 -20.2572
25 C1a C 37.0502 -20.2261
BOND 27
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 6 10 1
10 7 11 1
11 9 12 1
12 11 13 2
13 12 14 1
14 13 15 1
15 15 16 2
16 15 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 18 21 1
21 20 22 1
22 21 23 1
23 22 24 1
24 7 8 2
25 10 12 2
26 19 20 1
27 14 25 1
|