ATOM 42
1 C8y C 29.9953 -21.1112
2 C8y C 31.2150 -20.4285
3 C8y C 30.0419 -22.5061
4 C8y C 28.7932 -20.4051
5 C8y C 32.4114 -21.1462
6 C8y C 31.2384 -19.0336
7 C8y C 28.7639 -23.2004
8 C1y C 31.1742 -23.2296
9 C8y C 27.5735 -21.0878
10 O1a O 28.7815 -18.9985
11 C1y C 32.3938 -22.5409
12 C8x C 33.7011 -20.4750
13 C8y C 32.4638 -18.3566
14 O1a O 30.0186 -18.3275
15 C8y C 27.5618 -22.4885
16 O2a O 28.7581 -24.5952
17 O1a O 31.1625 -24.6302
18 C5x C 26.3595 -20.3817
19 O1a O 33.6018 -23.2412
20 C8y C 33.6602 -19.0803
21 C5a C 32.4522 -16.9502
22 C5x C 26.3478 -23.1888
23 C8y C 25.1398 -21.0761
24 O5x O 26.4178 -18.9752
25 C1a C 34.8682 -18.3625
26 N1b N 33.6661 -16.2499
27 O5a O 31.2324 -16.2557
28 C8y C 25.1340 -22.4827
29 O5x O 26.3304 -24.4494
30 C8x C 23.9260 -20.3817
31 C1c C 33.6602 -14.8493
32 C8y C 23.9260 -23.1888
33 C8y C 22.7063 -21.0761
34 C6a C 34.8682 -14.1432
35 C1a C 32.4464 -14.1549
36 C8x C 22.7063 -22.4827
37 O1a O 23.9143 -24.5894
38 O2a O 21.4865 -20.3817
39 O6a O 36.0705 -14.8435
40 O6a O 34.8566 -12.7483
41 C1a C 20.2727 -21.0704
42 C1a C 27.5626 -25.2786
BOND 46
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 7 16 1
16 8 17 1 #Up
17 9 18 1
18 11 19 1 #Down
19 12 20 2
20 13 21 1
21 15 22 1
22 18 23 1
23 18 24 2
24 20 25 1
25 21 26 1
26 21 27 2
27 22 28 1
28 22 29 2
29 23 30 1
30 26 31 1
31 28 32 1
32 30 33 2
33 31 34 1
34 31 35 1
35 32 36 2
36 32 37 1
37 33 38 1
38 34 39 1
39 34 40 2
40 38 41 1
41 8 11 1
42 9 15 2
43 13 20 1
44 23 28 2
45 33 36 1
46 16 42 1
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