ATOM 39
1 C1y C 30.9731 -16.2918
2 N4y N 32.3161 -15.7674
3 O2x O 29.8505 -15.4756
4 C1y C 30.5449 -17.6057
5 C1y C 28.7274 -16.2918
6 C1y C 29.1558 -17.6057
7 O1a O 31.3552 -18.7287
8 C8x C 32.3102 -14.3824
9 C8y C 33.5183 -16.4548
10 N5x N 34.7149 -15.7573
11 C8y C 34.7091 -14.3724
12 C8x C 33.5067 -13.6850
13 O5x O 33.5237 -17.8183
14 N1a N 35.9317 -13.6600
15 C1b C 27.5272 -15.5989
16 O2b O 26.3269 -16.2918
17 O1a O 28.3637 -18.6977
18 P1b P 25.1321 -15.6019
19 O2b O 23.9206 -16.3016
20 C1b C 22.3605 -15.6017
21 O1c O 26.1121 -14.6218
22 O1c O 24.1522 -14.6218
23 C1b C 21.1490 -16.3022
24 C1b C 19.9347 -15.6025
25 C1b C 18.7244 -16.3033
26 C1b C 17.5288 -15.5954
27 C1b C 16.3173 -16.2948
28 C1b C 15.1059 -15.5954
29 C1b C 13.8945 -16.2948
30 C1b C 12.6830 -15.5954
31 C1b C 11.4715 -16.2948
32 C1b C 10.2602 -15.5954
33 C1b C 9.0487 -16.2948
34 C1b C 7.8372 -15.5954
35 C1b C 6.6257 -16.2948
36 C1b C 5.4143 -15.5954
37 C1b C 4.2029 -16.2948
38 C1b C 2.9914 -15.5954
39 C1a C 1.7800 -16.2948
BOND 40
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 3 5 1
5 4 6 1
6 4 7 1 #Up
7 5 6 1
8 2 8 1
9 2 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 8 12 2
14 9 13 2
15 11 14 1
16 5 15 1 #Up
17 15 16 1
18 6 17 1 #Down
19 16 18 1
20 18 19 1
21 18 21 1
22 18 22 2
23 24 25 1
24 19 20 1
25 20 23 1
26 23 24 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 37 38 1
40 38 39 1
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