ATOM 25
1 C8y C 25.5699 -21.2492
2 C8y C 25.5758 -19.8506
3 C8y C 24.3636 -21.9542
4 C8x C 26.7820 -21.9601
5 O2x O 26.7937 -19.1573 #+
6 C8x C 24.3636 -19.1514
7 C8x C 23.1517 -21.2492
8 O2a O 24.3696 -23.3587
9 C8y C 27.9999 -21.2608
10 C8y C 28.0057 -19.8623
11 C8y C 23.1517 -19.8506
12 C1a C 23.1633 -24.0579
13 O1a O 29.2062 -21.9718
14 C8y C 29.2236 -19.1688
15 O1a O 21.9397 -19.1514
16 C8x C 30.4298 -19.8740
17 C8x C 29.2236 -17.7704
18 C8y C 31.6477 -19.1804
19 C8y C 30.4415 -17.0711
20 C8y C 31.6534 -17.7821
21 O2a O 32.8480 -19.8856
22 O2a O 30.4472 -15.6726
23 O1a O 32.8597 -17.0828
24 C1a C 34.0659 -19.1921
25 C1a C 29.2352 -14.9674
BOND 27
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 2
9 5 10 2
10 6 11 2
11 8 12 1
12 9 13 1
13 10 14 1
14 11 15 1
15 14 16 2
16 14 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 18 21 1
21 19 22 1
22 20 23 1
23 21 24 1
24 22 25 1
25 7 11 1
26 9 10 1
27 19 20 1
|