ATOM 39
1 C8y C 26.2338 -19.8819
2 C8y C 25.0143 -19.1934
3 C8y C 26.2395 -21.2822
4 C8y C 27.4474 -19.1760
5 C8y C 23.8065 -19.8936
6 C8x C 25.0202 -17.7932
7 C8y C 25.0319 -21.9883
8 C1x C 27.4533 -21.9767
9 C8y C 28.6495 -19.8762
10 C8x C 27.4299 -17.7815
11 C8x C 23.8124 -21.2939
12 C8y C 22.5870 -19.1934
13 C8y C 23.8065 -17.0870
14 C1y C 25.0376 -23.3828
15 C1y C 27.4590 -23.3711
16 C8y C 29.8629 -19.1702
17 O1a O 28.6495 -21.2765
18 C8x C 28.6378 -17.0696
19 C8x C 22.5870 -17.7932
20 O2a O 21.3734 -19.8936
21 O2a O 23.8065 -15.6866
22 O2x O 26.2512 -24.0713
23 C1a C 23.8299 -24.0889
24 C1a C 28.6728 -24.0597
25 C8y C 29.9213 -17.7698
26 C8y C 31.0825 -19.8587
27 C1a C 20.1539 -19.1993
28 C1a C 22.5929 -14.9865
29 C8x C 31.0534 -17.0579
30 C8y C 32.2903 -19.1469
31 O1a O 31.0941 -21.2589
32 C8y C 32.2669 -17.7522
33 C5x C 33.5097 -19.8237
34 C1x C 33.4690 -17.0286
35 C1x C 34.7116 -19.1118
36 O5x O 33.5331 -21.2298
37 C1z C 34.6884 -17.7172
38 C1a C 35.8961 -16.9936
39 O1a O 34.7468 -16.1710
BOND 44
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 8 15 1
15 9 16 1
16 9 17 1
17 10 18 2
18 12 19 2
19 12 20 1
20 13 21 1
21 14 22 1
22 14 23 1
23 15 24 1
24 16 25 2
25 16 26 1
26 20 27 1
27 21 28 1
28 25 29 1
29 26 30 2
30 26 31 1
31 29 32 2
32 30 33 1
33 32 34 1
34 33 35 1
35 33 36 2
36 34 37 1
37 37 38 1
38 37 39 1
39 7 11 2
40 13 19 1
41 15 22 1
42 18 25 1
43 30 32 1
44 35 37 1
|