ATOM 43
1 C1y C 23.9874 -14.3973
2 C8y C 25.8614 -15.5938
3 C1y C 23.9931 -13.0025
4 C5x C 22.7733 -15.0925
5 C8y C 25.8498 -16.9828
6 C8y C 27.0568 -14.9117
7 O2x O 22.7849 -12.3085
8 C8y C 21.5769 -14.3914
9 O5x O 22.7675 -16.4812
10 C8y C 27.0392 -17.6837
11 O2x O 24.6475 -17.6779
12 C8x C 28.2533 -15.6114
13 O1a O 27.0858 -13.7559
14 C8y C 21.5827 -12.9965
15 C8y C 20.3933 -15.0865
16 C5x C 27.0392 -19.0668
17 C8y C 28.2475 -16.9944
18 C1y C 24.6475 -19.0668
19 C8x C 20.3933 -12.3027
20 C8x C 19.1792 -14.3914
21 O1a O 20.3933 -16.4755
22 C1y C 25.8498 -19.7549
23 O5x O 28.2533 -19.7549
24 O1a O 29.4440 -17.7012
25 C8y C 23.4393 -19.7549
26 C8y C 19.1792 -12.9965
27 O1a O 25.8557 -21.1437
28 C8x C 22.2426 -19.0611
29 C8x C 23.4451 -21.1437
30 O1a O 17.9825 -12.3027
31 C8y C 21.0404 -19.7549
32 C8x C 22.2426 -21.8388
33 C8y C 21.0404 -21.1437
34 O1a O 19.8380 -19.0668
35 O1a O 19.8380 -21.8388
36 C8y C 25.1955 -12.3202
37 C8x C 25.1955 -10.9371
38 C8x C 26.3920 -13.0199
39 C8y C 26.4037 -10.2420
40 C8x C 27.5945 -12.3318
41 C8y C 27.6002 -10.9431
42 O1a O 26.4095 -8.8673
43 O1a O 28.8086 -10.2537
BOND 48
1 4 9 2
2 5 10 2
3 5 11 1
4 6 12 1
5 6 13 1
6 7 14 1
7 8 15 1
8 10 16 1
9 10 17 1
10 11 18 1
11 14 19 1
12 15 20 2
13 15 21 1
14 16 22 1
15 16 23 2
16 17 24 1
17 18 25 1 #Up
18 19 26 2
19 22 27 1 #Down
20 25 28 2
21 25 29 1
22 26 30 1
23 28 31 1
24 29 32 2
25 31 33 2
26 31 34 1
27 33 35 1
28 8 14 2
29 12 17 2
30 18 22 1
31 20 26 1
32 32 33 1
33 3 36 1 #Down
34 1 2 1 #Up
35 1 3 1
36 1 4 1
37 2 5 1
38 2 6 2
39 3 7 1
40 4 8 1
41 36 37 1
42 36 38 2
43 37 39 2
44 38 40 1
45 39 41 1
46 39 42 1
47 41 43 1
48 40 41 2
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