ATOM 40
1 C1y C 25.8720 -24.4872
2 C1y C 25.8720 -25.8870
3 C1y C 27.0873 -26.5869
4 O2x O 28.2954 -25.8870
5 C1x C 28.2954 -24.4872
6 C1y C 27.0873 -23.7872
7 C8y C 27.0890 -27.9868
8 C8y C 28.2872 -28.6889
9 C8y C 28.2813 -30.0861
10 O2x O 29.5028 -27.9927
11 C8y C 25.8730 -28.6889
12 C8y C 27.0890 -30.7870
13 C8y C 29.4913 -30.7930
14 C8y C 30.7199 -28.7007
15 C8y C 25.8673 -30.0861
16 O1a O 24.6573 -27.9868
17 O1a O 27.0890 -32.1901
18 C8x C 30.7140 -30.0978
19 O5x O 29.4853 -32.1901
20 C8y C 31.9359 -28.0045
21 C1y C 24.6515 -30.7870
22 C8x C 33.1399 -28.7124
23 C8x C 31.9359 -26.6073
24 O2x O 23.4474 -30.0861
25 C1y C 24.6515 -32.1901
26 C8x C 34.3557 -28.0162
27 C8x C 33.1516 -25.9121
28 C1y C 22.2315 -30.7870
29 C1y C 23.4474 -32.8863
30 O1a O 25.8673 -32.8863
31 C8y C 34.3614 -26.6190
32 C1y C 22.2315 -32.1901
33 C1b C 21.0158 -30.0861
34 O1a O 23.4474 -34.2894
35 O1a O 35.5774 -25.9238
36 O1a O 21.0158 -32.8863
37 O1a O 19.7988 -30.7870
38 O1a O 24.6600 -26.5876
39 O1a O 24.6600 -23.7865
40 O1a O 27.0890 -22.3874
BOND 44
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 1 1
6 8 9 2
7 8 10 1
8 7 11 2
9 9 12 1
10 9 13 1
11 10 14 1
12 11 15 1
13 11 16 1
14 12 17 1
15 13 18 1
16 13 19 2
17 14 20 1
18 21 15 1 #Up
19 20 22 2
20 20 23 1
21 21 24 1
22 21 25 1
23 22 26 1
24 23 27 2
25 24 28 1
26 25 29 1
27 25 30 1 #Down
28 26 31 2
29 28 32 1
30 28 33 1 #Up
31 29 34 1 #Up
32 31 35 1
33 32 36 1 #Down
34 33 37 1
35 12 15 2
36 14 18 2
37 27 31 1
38 29 32 1
39 8 7 1
40 2 38 1 #Down
41 3 7 1 #Up
42 1 39 1 #Up
43 1 2 1
44 6 40 1 #Up
| 
