ATOM 40
1 C8y C 31.7894 -30.3872
2 C8y C 31.7894 -31.7876
3 C8x C 30.5991 -32.4878
4 C8y C 29.3388 -31.7876
5 C8x C 29.3388 -30.3872
6 C8y C 30.5991 -29.6871
7 C1y C 33.1198 -32.2077
8 C1y C 33.9600 -31.0874
9 O2x O 33.1198 -29.9671
10 C8y C 35.3604 -31.0874
11 C8x C 36.0606 -32.2778
12 C8y C 37.5309 -32.2778
13 C8y C 38.2311 -31.0874
14 C8x C 37.5309 -29.8971
15 C8x C 36.0606 -29.8971
16 O1a O 39.6315 -31.0874
17 O2a O 38.2311 -33.4681
18 C1a C 39.6315 -33.4681
19 C1b C 33.1198 -33.6081
20 O2a O 30.5991 -28.2867
21 C1a C 31.7894 -27.5865
22 O1a O 34.3101 -34.3083
23 C1b C 28.1484 -32.4878
24 C1y C 26.8881 -31.7876
25 C1y C 26.8881 -30.3872
26 C7x C 25.5578 -32.2077
27 O7x O 24.7175 -31.0874
28 C1x C 25.5578 -29.9671
29 C1b C 28.0784 -29.6871
30 C8y C 28.0784 -28.2867
31 C8x C 29.2687 -27.5865
32 C8x C 29.2687 -26.1861
33 C8y C 28.0784 -25.4859
34 C8y C 26.8881 -26.1861
35 C8x C 26.8881 -27.5865
36 O2a O 28.0784 -24.0155
37 O2a O 25.6978 -25.4859
38 C1a C 24.5075 -26.1861
39 C1a C 26.8657 -23.3154
40 O6a O 25.1312 -33.5359
BOND 44
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 1 9 1
11 8 10 1 #Down
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 13 16 1
19 12 17 1
20 17 18 1
21 7 19 1 #Up
22 6 20 1
23 20 21 1
24 19 22 1
25 4 23 1
26 24 23 1 #Up
27 25 24 1
28 24 26 1
29 26 27 1
30 27 28 1
31 25 28 1
32 25 29 1 #Down
33 29 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 30 35 1
40 33 36 1
41 34 37 1
42 37 38 1
43 36 39 1
44 26 40 2
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