ATOM 44
1 C8y C 27.2877 -13.7920
2 C8y C 28.4604 -14.4779
3 C1y C 26.1149 -14.4719
4 C8y C 27.2936 -12.4394
5 O2x O 27.0962 -17.7636
6 C8y C 29.6462 -13.7920
7 N1y N 24.9420 -13.7804
8 C8x C 28.4604 -11.7536
9 C1x C 26.1266 -11.7549
10 C8y C 28.3040 -18.3793
11 C8y C 29.6462 -12.4394
12 O1a O 30.8191 -14.4779
13 C8y C 24.9362 -16.4987
14 C1x C 24.9013 -12.4394
15 C1a C 23.7693 -14.4428
16 C8x C 28.3042 -19.7379
17 C8y C 29.4488 -17.6423
18 O2a O 30.8191 -11.7536
19 C8x C 24.9362 -17.8514
20 C8x C 23.7693 -15.8072
21 C8y C 29.5879 -20.3477
22 C8x C 30.6554 -18.2638
23 O2a O 29.4488 -16.2837
24 C1a C 31.9861 -12.4277
25 C8y C 23.7576 -18.5311
26 C8x C 22.5906 -16.4870
27 C1y C 29.5879 -21.7074
28 C8y C 30.6498 -19.6105
29 C1a C 30.6565 -15.5513
30 O2x O 23.7516 -19.8840
31 C8y C 22.5847 -17.8455
32 N1y N 30.8645 -22.3172
33 C1x C 31.9276 -20.2145
34 C8y C 24.9362 -20.5347
35 O1a O 21.4179 -18.5137
36 C8y C 27.3110 -21.8347
37 C1x C 31.9161 -21.5614
38 C1a C 30.8821 -23.6641
39 C8x C 26.0973 -19.8257
40 C8x C 24.8954 -21.8931
41 C8x C 27.2877 -20.4762
42 C8x C 26.1557 -22.5368
43 C1x C 28.4865 -22.4702
44 C1x C 26.1097 -15.8697
BOND 50
1 2 5 1
2 2 6 1
3 3 7 1
4 4 8 2
5 4 9 1
6 5 10 1
7 6 11 2
8 6 12 1
9 44 13 1
10 7 14 1
11 7 15 1
12 10 16 1
13 10 17 2
14 11 18 1
15 13 19 1
16 13 20 2
17 16 21 2
18 17 22 1
19 17 23 1
20 18 24 1
21 19 25 2
22 20 26 1
23 21 27 1
24 21 28 1
25 23 29 1
26 25 30 1
27 25 31 1
28 27 32 1
29 28 33 1
30 30 34 1
31 31 35 1
32 43 36 1
33 32 37 1
34 32 38 1
35 34 39 2
36 34 40 1
37 36 41 2
38 36 42 1
39 8 11 1
40 9 14 1
41 22 28 2
42 26 31 2
43 33 37 1
44 39 41 1
45 40 42 2
46 27 43 1 #Up
47 1 2 2
48 1 3 1
49 3 44 1 #Down
50 1 4 1
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