ATOM 25
1 C8y C 22.1083 -17.3716
2 C8y C 22.1142 -15.9659
3 C8y C 20.9067 -18.0659
4 C8y C 23.3217 -18.0716
5 O2x O 23.3334 -15.2658
6 C8x C 20.9067 -15.2599
7 C8y C 19.6933 -17.3716
8 O1a O 20.9067 -19.4600
9 C8x C 24.5409 -17.3775
10 O5x O 23.3158 -19.4659
11 C8y C 24.5467 -15.9775
12 C8y C 19.6933 -15.9659
13 O2a O 18.4858 -18.0659
14 C8y C 25.7658 -15.2775
15 O1a O 18.4858 -15.2716
16 C1a C 17.2783 -17.3716
17 C8x C 25.7658 -13.8775
18 C8x C 26.9791 -15.9833
19 C8y C 26.9850 -13.1775
20 C8x C 28.1983 -15.2833
21 C8y C 28.1983 -13.8833
22 O2a O 26.9908 -11.7775
23 O2a O 29.4117 -13.1834
24 C1a C 28.1983 -11.0834
25 C1a C 30.6192 -13.8892
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 1
9 4 10 2
10 5 11 1
11 6 12 2
12 7 13 1
13 11 14 1
14 12 15 1
15 13 16 1
16 14 17 1
17 14 18 2
18 17 19 2
19 18 20 1
20 19 21 1
21 19 22 1
22 21 23 1
23 22 24 1
24 23 25 1
25 7 12 1
26 9 11 2
27 20 21 2
|