ATOM 52
1 C1y C 23.7264 -27.3109
2 C1y C 23.7264 -28.6913
3 C2x C 22.5323 -26.6236
4 C1y C 22.5323 -29.3786
5 C5a C 25.8292 -30.1359
6 C2y C 21.3382 -27.3109
7 C8y C 22.5556 -30.6426
8 C1x C 21.3382 -28.6913
9 C8y C 25.8292 -31.5105
10 O5a O 27.0174 -29.5126
11 C1a C 20.1441 -26.6236
12 C8y C 21.3558 -31.3299
13 C8x C 23.7497 -31.3299
14 C8y C 27.0290 -32.1978
15 C8x C 24.6351 -32.1978
16 C8x C 21.3558 -32.7103
17 O1a O 20.1674 -30.6426
18 C8x C 23.7497 -32.7103
19 C8x C 27.0290 -33.5725
20 O1a O 28.2173 -31.4989
21 C8x C 24.6351 -33.5782
22 C8y C 22.5556 -33.3977
23 C8y C 25.8349 -34.2655
24 O1a O 22.5556 -34.7780
25 O1a O 25.8409 -35.6459
26 C8y C 24.9204 -26.6236
27 C1z C 29.6967 -25.2547
28 C1z C 29.6851 -26.6410
29 C8y C 31.0190 -24.8295
30 O2x O 28.5085 -24.5557
31 C1b C 29.6617 -23.8567
32 C5x C 28.4969 -27.3167
33 O2x O 31.0014 -27.0721
34 O1a O 29.6677 -28.1089
35 C8y C 31.8227 -25.9596
36 C8x C 31.5898 -23.5714
37 C8y C 27.3086 -25.2430
38 C2b C 30.8384 -23.1404
39 C8y C 27.3028 -26.6236
40 O5x O 28.4852 -28.6970
41 C8x C 33.2032 -25.8255
42 C8x C 32.9644 -23.4316
43 C8x C 26.1145 -24.5500
44 C2c C 30.8792 -21.7598
45 C8y C 26.1145 -27.3109
46 C8y C 33.7740 -24.5674
47 C8y C 24.9204 -25.2430
48 C1a C 32.0616 -21.0595
49 C1a C 29.6677 -21.1115
50 O1a O 26.1204 -28.6913
51 O1a O 35.1487 -24.4334
52 O1a O 23.7264 -24.5500
BOND 58
1 21 23 2
2 1 26 1 #Up
3 1 2 1
4 1 3 1
5 2 4 1
6 2 5 1 #Down
7 3 6 2
8 4 7 1 #Up
9 4 8 1
10 5 9 1
11 5 10 2
12 6 11 1
13 7 12 2
14 7 13 1
15 9 14 1
16 9 15 2
17 12 16 1
18 12 17 1
19 13 18 2
20 14 19 2
21 14 20 1
22 15 21 1
23 16 22 2
24 19 23 1
25 22 24 1
26 23 25 1
27 6 8 1
28 18 22 1
29 27 28 1
30 27 29 1
31 27 30 1
32 27 31 1 #Either
33 28 32 1
34 28 33 1
35 28 34 1 #Either
36 29 35 2
37 29 36 1
38 30 37 1
39 31 38 1
40 32 39 1
41 32 40 2
42 35 41 1
43 36 42 2
44 37 43 1
45 38 44 2
46 39 45 1
47 41 46 2
48 43 47 2
49 44 48 1
50 44 49 1
51 45 26 2
52 45 50 1
53 46 51 1
54 47 52 1
55 33 35 1
56 37 39 2
57 42 46 1
58 47 26 1
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