ATOM 55
1 C1y C 21.0865 -42.4422
2 C1b C 22.2773 -43.1426
3 C1c C 23.7484 -42.4422
4 O1a O 23.7484 -41.0412
5 C1x C 18.7049 -41.0412
6 C1x C 18.7049 -42.4422
7 C1y C 19.8957 -43.1426
8 O2x O 21.0865 -41.0412
9 C1z C 19.8957 -40.3407
10 C1b C 15.2024 -32.0049
11 C1c C 16.3933 -31.3044
12 C2b C 15.2024 -33.4059
13 C2b C 14.0116 -34.1064
14 C2b C 14.0116 -35.4373
15 C2b C 15.2024 -36.1378
16 C1c C 15.2024 -37.5388
17 C1b C 16.3933 -38.2392
18 C1c C 17.5841 -32.0049
19 C1d C 18.7749 -31.3044
20 C5a C 19.9657 -32.0049
21 C1c C 21.2266 -31.3044
22 C1c C 22.4174 -32.0049
23 C5a C 24.8691 -32.0049
24 C1c C 23.6083 -31.3044
25 C1c C 24.8691 -33.4059
26 C1c C 25.9899 -35.5073
27 C1c C 26.0600 -34.1064
28 C2b C 24.7991 -36.2078
29 C7a C 23.5382 -38.3093
30 C2b C 24.7991 -37.6088
31 O7a O 22.3474 -37.5388
32 C1y C 21.0865 -38.2392
33 C1y C 19.8957 -37.5388
34 C1b C 17.5140 -37.4687
35 C1y C 18.7049 -38.1692
36 C1a C 16.3933 -29.9035
37 O1a O 17.5841 -33.4059
38 C1a C 19.7556 -30.3238
39 O1a O 17.7942 -30.3238
40 O5a O 19.9657 -33.4059
41 C1a C 21.2266 -29.9035
42 O1a O 22.4174 -33.4059
43 C1a C 23.6083 -29.9035
44 O5a O 26.0600 -31.3044
45 C1a C 23.6083 -34.1064
46 O1a O 27.2508 -33.4059
47 C1a C 27.2508 -36.2078
48 O6a O 23.5382 -39.7103
49 C1a C 19.8957 -36.1378
50 C1b C 13.9416 -38.2392
51 C1a C 12.7507 -37.5388
52 C1x C 21.0865 -39.6402
53 O2x O 18.7049 -39.6402
54 C1a C 19.8957 -44.5436
55 C1a C 24.9392 -43.1426
BOND 57
1 29 30 1
2 5 9 1
3 6 7 1
4 31 32 1
5 33 32 1
6 7 1 1
7 15 16 1
8 16 17 1
9 33 35 1
10 34 35 1
11 17 34 1
12 11 36 1 #Up
13 1 8 1
14 18 37 1 #Up
15 9 8 1 #Down
16 19 38 1 #Down
17 18 19 1
18 19 39 1 #Up
19 20 19 1
20 20 40 2
21 10 12 1
22 21 41 1 #Up
23 22 42 1 #Up
24 20 21 1
25 24 43 1 #Up
26 22 21 1
27 23 44 2
28 1 2 1
29 25 45 1 #Down
30 10 11 1
31 27 46 1 #Down
32 18 11 1
33 26 47 1 #Up
34 22 24 1
35 29 48 2
36 25 23 1
37 23 24 1
38 33 49 1 #Up
39 2 3 1
40 3 4 1 #Down
41 5 6 1
42 16 50 1
43 25 27 1
44 50 51 1
45 28 26 1
46 32 52 1
47 26 27 1
48 52 9 1
49 12 13 2
50 9 53 1
51 53 35 1
52 13 14 1
53 7 54 1 #Up
54 14 15 2
55 28 30 2
56 3 55 1
57 31 29 1
|