ATOM 50
1 C8y C 24.8510 -13.1672
2 C8y C 23.6356 -13.8624
3 C1y C 26.0548 -13.8624
4 C8y C 24.8569 -11.7647
5 C8y C 23.6414 -15.2591
6 C8y C 22.4201 -13.1672
7 C1x C 26.0548 -15.2591
8 N1y N 27.2759 -13.1789
9 C8x C 23.6414 -11.0577
10 C1x C 26.0723 -11.0635
11 C8y C 24.8452 -15.9604
12 C8x C 22.4377 -15.9544
13 C8y C 22.4260 -11.7705
14 O1a O 21.1988 -13.8624
15 C1x C 27.2819 -11.7764
16 C1a C 28.4855 -13.8741
17 C8x C 24.8393 -17.3509
18 C8y C 22.5018 -17.3452
19 O2a O 21.2047 -11.0577
20 C8y C 23.6356 -18.0405
21 O2a O 21.2047 -18.0288
22 C1a C 19.9892 -11.7588
23 O2a O 23.6356 -19.4312
24 C8y C 24.8510 -20.1324
25 C8y C 26.0723 -19.4312
26 C8y C 24.8393 -21.5349
27 C1b C 26.0606 -18.0288
28 C8x C 27.2759 -20.1441
29 C8y C 26.0548 -22.2420
30 O2a O 23.6297 -22.2361
31 C1y C 27.2702 -17.3277
32 C8x C 27.2702 -21.5466
33 O2a O 26.0489 -23.6326
34 C1a C 22.4143 -21.5349
35 C8y C 28.4855 -18.0288
36 N1y N 27.2702 -15.9253
37 C1a C 24.8335 -24.3338
38 C8y C 29.7010 -17.3277
39 C8x C 28.4855 -19.4312
40 C1x C 28.4855 -15.2241
41 C1a C 25.6348 -16.4748
42 C8x C 30.9164 -18.0288
43 C1x C 29.7010 -15.9310
44 C8y C 29.6951 -20.1324
45 C8y C 30.9164 -19.4312
46 O2a O 29.6951 -21.5291
47 O2a O 32.1202 -20.1324
48 C1a C 30.9047 -22.2303
49 C1a C 33.3356 -19.4254
50 C1a C 20.0049 -17.3113
BOND 56
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 2
13 6 14 1
14 8 15 1
15 8 16 1
16 11 17 1
17 12 18 2
18 13 19 1
19 17 20 2
20 18 21 1
21 19 22 1
22 20 23 1
23 23 24 1
24 24 25 1
25 24 26 2
26 25 27 1
27 25 28 2
28 26 29 1
29 26 30 1
30 27 31 1
31 28 32 1
32 29 33 1
33 30 34 1
34 31 35 1
35 31 36 1
36 33 37 1
37 35 38 2
38 35 39 1
39 36 40 1
40 36 41 1
41 38 42 1
42 38 43 1
43 39 44 2
44 42 45 2
45 44 46 1
46 45 47 1
47 46 48 1
48 47 49 1
49 7 11 1
50 9 13 1
51 10 15 1
52 18 20 1
53 29 32 2
54 40 43 1
55 44 45 1
56 21 50 1
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