ATOM 42
1 C1y C 26.5283 -19.3446
2 C5x C 27.6927 -18.6672
3 N1x N 28.8570 -19.3376
4 C1y C 30.0284 -18.6602
5 C1b C 31.1928 -19.3305
6 C8y C 32.3571 -18.6531
7 C8x C 26.0287 -14.4227
8 C8y C 26.0287 -15.7776
9 C8x C 27.1993 -16.4479
10 C8x C 28.3628 -15.7776
11 C8y C 28.3628 -14.4227
12 C8x C 27.1993 -13.7522
13 C2x C 29.5309 -13.7532
14 O2x O 24.8542 -16.4486
15 C1y C 24.8551 -18.3750
16 C2x C 31.2062 -14.7208
17 N1x N 31.2035 -16.6515
18 C5x C 30.0254 -17.3123
19 O5x O 27.6896 -17.3194
20 O5x O 28.8548 -16.6278
21 N1b N 26.5295 -20.6923
22 C8y C 23.6835 -19.0565
23 C5a C 27.6977 -21.3689
24 O5a O 28.8648 -20.6905
25 C8x C 22.5173 -18.3760
26 C8x C 21.3456 -19.0577
27 C8x C 21.3472 -20.4109
28 C8x C 22.5205 -21.0897
29 C8x C 23.6921 -20.4082
30 C8x C 33.5165 -19.3312
31 C8x C 34.6809 -18.6538
32 C8x C 34.6794 -17.3087
33 C8x C 33.5133 -16.6344
34 C8x C 32.3490 -17.3118
35 C1c C 27.6988 -22.7167
36 N1c N 26.5317 -23.3880
37 C1b C 28.8670 -23.3861
38 C1a C 26.5327 -24.7429
39 C1a C 25.3635 -22.7185
40 C1c C 28.8682 -24.7410
41 C1a C 27.7010 -25.4123
42 C1a C 30.0434 -25.4105
BOND 45
1 1 21 1 #Up
2 10 11 2
3 15 22 1
4 11 12 1
5 21 23 1
6 12 7 2
7 23 24 2
8 1 2 1
9 11 13 1
10 3 4 1
11 8 14 1
12 22 25 2
13 25 26 1
14 26 27 2
15 27 28 1
16 28 29 2
17 29 22 1
18 14 15 1
19 4 5 1 #Down
20 13 16 2
21 15 1 1
22 2 3 1
23 16 17 1
24 6 30 2
25 30 31 1
26 31 32 2
27 32 33 1
28 33 34 2
29 34 6 1
30 5 6 1
31 23 35 1
32 4 18 1
33 35 36 1 #Down
34 18 17 1
35 35 37 1
36 7 8 1
37 36 38 1
38 2 19 2
39 36 39 1
40 8 9 2
41 37 40 1
42 18 20 2
43 40 41 1
44 9 10 1
45 40 42 1
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