ATOM 45
1 C1y C 19.8486 -10.2922
2 O2x O 20.9798 -9.5939
3 C1y C 18.6414 -9.6115
4 C1y C 21.0382 -8.2153
5 C1y C 18.6356 -8.2281
6 O1a O 17.4589 -10.3098
7 C1y C 19.8310 -7.5437
8 C1b C 22.2267 -7.5271
9 O1a O 17.4285 -7.5601
10 O1a O 19.8253 -6.1649
11 C1y C 16.2730 -16.5035
12 C1z C 17.4614 -17.2077
13 C1z C 15.0659 -17.1902
14 C1x C 16.2847 -15.1377
15 C1z C 18.6571 -16.5340
16 C1x C 17.4614 -18.5864
17 C1a C 18.0743 -15.8171
18 C1y C 15.0600 -18.5805
19 C1x C 13.8646 -16.4977
20 C1a C 15.0542 -15.8054
21 C1y C 17.4861 -14.4513
22 C1y C 18.5987 -15.1493
23 C1x C 21.0409 -16.5516
24 C1a C 18.6395 -17.8999
25 C1y C 16.2673 -19.2787
26 C1z C 13.8646 -19.2787
27 C1x C 12.6633 -17.1902
28 O1a O 17.4674 -13.2708
29 C1y C 19.8699 -14.4746
30 C1x C 20.9954 -15.1786
31 O1a O 16.2369 -20.6633
32 C1y C 12.6633 -18.5805
33 C1a C 14.4997 -20.6096
34 C1d C 19.8642 -13.0900
35 O1a O 11.4690 -19.2787
36 C1b C 21.0654 -12.3920
37 C1b C 22.2480 -13.0841
38 C2b C 23.4493 -12.3861
39 C2c C 24.6508 -13.0783
40 C1a C 25.8390 -12.3861
41 C1a C 24.6391 -14.4630
42 C1a C 18.6502 -12.1758
43 O2a O 19.8555 -11.6879
44 C1a C 13.0798 -20.6101
45 O1a O 23.4364 -8.2237
BOND 49
1 5 7 1
2 1 2 1
3 1 3 1
4 2 4 1
5 3 5 1
6 3 6 1 #Down
7 4 7 1
8 4 8 1 #Up
9 5 9 1 #Up
10 7 10 1 #Down
11 11 12 1
12 11 13 1
13 11 14 1
14 12 15 1
15 12 16 1
16 12 17 1 #Up
17 13 18 1
18 13 19 1
19 13 20 1 #Up
20 14 21 1
21 15 22 1
22 15 23 1
23 15 24 1 #Down
24 16 25 1
25 18 26 1
26 19 27 1
27 21 28 1 #Up
28 22 29 1
29 23 30 1
30 25 31 1 #Down
31 26 32 1
32 26 33 1
33 29 34 1
34 32 35 1 #Up
35 34 36 1
36 36 37 1
37 37 38 1
38 38 39 2
39 39 40 1
40 39 41 1
41 18 25 1
42 21 22 1
43 27 32 1
44 29 30 1
45 34 42 1 #Down
46 34 43 1 #Up
47 1 43 1 #Up
48 26 44 1
49 8 45 1
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