ATOM 26
1 C8y C 23.0654 -19.2613
2 C8y C 23.0713 -17.8559
3 C8y C 24.2785 -19.9612
4 C8y C 21.8641 -19.9553
5 O2x O 24.2902 -17.1561
6 C8x C 21.8641 -17.1561
7 C8y C 25.4974 -19.2730
8 O5x O 24.2726 -21.3609
9 C8y C 20.6509 -19.2613
10 O1a O 21.8641 -21.3550
11 C8y C 25.5032 -17.8676
12 C8y C 20.6509 -17.8559
13 O2a O 26.7046 -19.9729
14 O1a O 19.4437 -19.9612
15 C8y C 26.7221 -17.1677
16 O2a O 19.4380 -17.1618
17 C1a C 27.9117 -19.2847
18 C8x C 26.7221 -15.7680
19 C8x C 27.9350 -17.8792
20 C1a C 18.2307 -17.8617
21 C8y C 27.9410 -15.0682
22 C8x C 29.1539 -17.1794
23 C8y C 29.1539 -15.7738
24 O1a O 27.9410 -13.6744
25 O2a O 30.3671 -15.0799
26 C1a C 31.5743 -15.7797
BOND 28
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 9 14 1
14 11 15 1
15 12 16 1
16 13 17 1
17 15 18 1
18 15 19 2
19 16 20 1
20 18 21 2
21 19 22 1
22 21 23 1
23 21 24 1
24 23 25 1
25 25 26 1
26 7 11 2
27 9 12 1
28 22 23 2
|